data_1hko_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 1hko _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 ' 8' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.64 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.41 ' O ' HD13 ' A' ' 16' ' ' ILE . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 28' ' ' ILE . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' O ' ' OG1' ' A' ' 25' ' ' THR . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.502 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.562 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.658 ' HE2' ' HE ' ' A' ' 72' ' ' ARG . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.677 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.753 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' HG23 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 28' ' ' ILE . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.533 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.661 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.639 ' CG1' ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.639 ' CE1' ' CG1' ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.658 ' HE ' ' HE2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.506 ' CG2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.47 ' HB ' ' CG1' ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.603 ' N ' ' O ' ' A' ' 88' ' ' ARG . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.585 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.2 t-20 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.534 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HD13 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.456 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.615 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 49' ' ' VAL . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.524 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 43' ' ' HIS . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.638 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.485 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.534 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.559 ' CE1' HG23 ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.487 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.558 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.506 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.581 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.513 ' C ' HD13 ' A' ' 16' ' ' ILE . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' A' ' 91' ' ' ILE . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.576 ' CG2' HD12 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.508 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.52 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.4 t-20 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' OG1' ' A' ' 25' ' ' THR . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CE3' HD13 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.576 HD12 ' CG2' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.615 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CA ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.699 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.453 ' ND1' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.605 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.462 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' HZ ' ' HE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.636 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.58 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 ' O ' ' C ' ' A' ' 92' ' ' THR . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.72 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.503 ' C ' HD13 ' A' ' 16' ' ' ILE . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.8 t-20 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.495 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 82' ' ' GLU . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' OD1' ' CE2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.666 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 36' ' ' LEU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.594 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.666 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.604 ' CD1' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.661 ' CD1' ' CE3' ' A' ' 26' ' ' TRP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' HG11 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.402 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.627 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.549 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' O ' ' OG1' ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.673 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE2' ' CG ' ' A' ' 78' ' ' PHE . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' CE1' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.56 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.492 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.61 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.466 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.422 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.624 HG21 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.671 ' CG ' ' CE2' ' A' ' 39' ' ' PHE . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.491 HD13 ' CD2' ' A' ' 26' ' ' TRP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 92' ' ' THR . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.644 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.62 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 16' ' ' ILE . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.62 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t-20 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.62 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.813 ' NE2' ' HE ' ' A' ' 72' ' ' ARG . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.69 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.496 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.578 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.69 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.525 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 53' ' ' GLN . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' HG13 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD2' ' ND1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.813 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.468 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' GLU . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.483 ' C ' HD13 ' A' ' 16' ' ' ILE . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' O ' ' CG2' ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.626 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' O ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.678 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.437 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CE1' HG23 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG23 ' CE1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 20' ' ' ASN . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.52 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.497 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' ASN . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.628 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.482 ' CG2' ' CE1' ' A' ' 78' ' ' PHE . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.663 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.563 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.563 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.617 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.449 ' C ' HD13 ' A' ' 16' ' ' ILE . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.1 t-20 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.524 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.681 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.543 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG13 ' CD1' ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.479 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.673 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.673 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.524 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.543 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.422 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 ' CD1' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.401 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB3' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.653 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.653 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.411 ' O ' HD13 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.699 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 25' ' ' THR . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.6 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.696 ' HE2' ' HD3' ' A' ' 72' ' ' ARG . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.631 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 42' ' ' GLU . 63.0 t-80 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.559 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 61' ' ' ASN . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.663 ' CZ ' ' NE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.601 HG12 ' CE1' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CE1' HG12 ' A' ' 65' ' ' VAL . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.696 ' HD3' ' HE2' ' A' ' 30' ' ' HIS . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.614 ' CG2' ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.614 ' CD1' ' CG2' ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.592 HD11 ' CH2' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' CD2' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' HD13 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 28' ' ' ILE . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.577 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.454 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.48 HG21 ' CB ' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.581 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.555 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD21 ' CB ' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' HG12 ' A' ' 49' ' ' VAL . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' CB ' HD21 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.632 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.707 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.521 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 28' ' ' ILE . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.555 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.49 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CD2' ' ND1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.594 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.484 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.469 ' OG1' ' CD1' ' A' ' 102' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.516 ' C ' HD13 ' A' ' 16' ' ' ILE . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 33.0 m80 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.686 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.575 ' CE1' HG23 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.486 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.485 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' HG23 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.553 HD11 ' CE3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.571 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.5 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 16' ' ' ILE . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.722 ' CD2' ' CD1' ' A' ' 26' ' ' TRP . 3.3 m80 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.527 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.69 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.547 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.722 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.612 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.634 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' CB ' HD12 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.599 ' CE1' ' CG1' ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.599 ' CG1' ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.617 ' HG2' ' HA ' ' A' ' 50' ' ' LEU . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.634 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.663 HD11 ' CE3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' C ' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' CG ' ' HG3' ' A' ' 63' ' ' GLU . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CD2' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.403 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.841 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 11.8 m-70 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' O ' ' OG1' ' A' ' 25' ' ' THR . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.521 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.841 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.655 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' ' CG2' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.451 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' O ' HG11 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG12 ' CE1' ' A' ' 43' ' ' HIS . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.665 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.649 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.551 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.525 ' CA ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.432 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.647 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 ' O ' HG11 ' A' ' 8' ' ' VAL . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.483 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.533 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.63 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' N ' HG21 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 16' ' ' ILE . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.544 ' CD1' HD13 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.561 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.2 t-20 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.51 ' CD1' HG12 ' A' ' 80' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.544 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.729 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.495 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.675 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.588 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CE1' ' A' ' 43' ' ' HIS . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.664 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.578 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.602 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.525 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.523 HD12 ' CD2' ' A' ' 83' ' ' LEU . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.672 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.672 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.543 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.486 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.491 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' HG21 ' A' ' 28' ' ' ILE . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' HD13 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.524 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' GLY . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.635 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.658 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.553 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.515 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.611 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.619 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.543 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.517 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 81' ' ' GLY . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.633 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' HD13 ' A' ' 16' ' ' ILE . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' HD22 ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.585 ' ND2' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 37' ' ' THR . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.53 ' CG2' ' HB1' ' A' ' 54' ' ' ALA . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.67 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.443 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' LEU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.582 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.572 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.515 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.487 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HB ' ' CG1' ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.554 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.544 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.601 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.52 ' C ' HD13 ' A' ' 16' ' ' ILE . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.643 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' H ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.697 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.625 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.48 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.496 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 6.3 t-20 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.509 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.676 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.527 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.527 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.676 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.509 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.548 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.579 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.486 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 75' ' ' SER . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.6 HG21 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG21 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.496 ' O ' HG11 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.612 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.561 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.594 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.607 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.453 ' C ' HD13 ' A' ' 16' ' ' ILE . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.617 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' C ' ' A' ' 81' ' ' GLY . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.692 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.444 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' LEU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' HG23 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.483 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.554 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.617 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.521 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.517 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 59' ' ' THR . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.613 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' O ' ' OG ' ' A' ' 75' ' ' SER . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.692 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.484 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.668 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.668 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.573 ' O ' ' C ' ' A' ' 92' ' ' THR . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.643 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 28' ' ' ILE . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.604 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' N ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.688 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.656 ' OD2' ' CZ2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.68 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.463 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.49 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.606 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.68 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.589 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.688 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 53' ' ' GLN . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.533 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.638 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.594 ' CE1' HG12 ' A' ' 65' ' ' VAL . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.625 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.548 ' CD2' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.508 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.671 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.554 ' N ' HG21 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.671 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 28' ' ' ILE . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 2.1 m-80 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.736 ' HE2' ' HD2' ' A' ' 72' ' ' ARG . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.432 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CE1' HD12 ' A' ' 74' ' ' LEU . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CE1' HG12 ' A' ' 49' ' ' VAL . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.606 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.641 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.662 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.619 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.546 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.736 ' HD2' ' HE2' ' A' ' 30' ' ' HIS . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.532 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.613 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.543 HG21 ' CD2' ' A' ' 78' ' ' PHE . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' HG21 ' A' ' 77' ' ' THR . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.507 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.537 HD12 ' CD2' ' A' ' 83' ' ' LEU . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.485 ' C ' HD13 ' A' ' 16' ' ' ILE . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.664 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' OG1' ' A' ' 25' ' ' THR . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.571 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.664 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.624 ' HE2' ' HE ' ' A' ' 72' ' ' ARG . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' CG1' HD11 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.663 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.608 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.564 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.608 HG12 ' CE1' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.484 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HE ' ' HE2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.596 HG21 ' CD1' ' A' ' 78' ' ' PHE . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.948 ' CD1' ' CE1' ' A' ' 39' ' ' PHE . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.649 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.574 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.615 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.615 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.61 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 17' ' ' GLN . 1.9 m-80 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.431 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.663 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.687 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.597 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.597 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.497 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.594 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.599 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.542 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.663 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.459 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.594 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 91' ' ' ILE . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD1' ' CB ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.526 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.609 ' CD1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HD11 ' A' ' 80' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.695 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.685 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.598 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.685 HG12 ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.526 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.581 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.489 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CE1' HG23 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.642 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.609 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.607 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.499 ' C ' HD13 ' A' ' 16' ' ' ILE . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.529 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' HG2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.629 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.45 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG21 ' C ' ' A' ' 81' ' ' GLY . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.722 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CE1' HG23 ' A' ' 49' ' ' VAL . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.626 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.626 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.722 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.695 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.453 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 HG21 ' CD1' ' A' ' 78' ' ' PHE . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 38' ' ' LYS . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.48 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.517 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.557 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.553 ' O ' ' C ' ' A' ' 92' ' ' THR . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.557 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.49 ' C ' HD13 ' A' ' 16' ' ' ILE . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' A' ' 83' ' ' LEU . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' CG2' ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD2' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.615 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.701 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.528 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.488 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.528 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.558 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.558 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.607 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.501 ' OD1' ' HA2' ' A' ' 55' ' ' GLY . 2.2 m-80 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CD1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.65 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.442 ' C ' HD13 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.7 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.452 ' ND1' ' HD2' ' A' ' 44' ' ' PRO . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.684 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.44 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 61' ' ' ASN . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CZ ' ' NE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.618 ' CE1' HG12 ' A' ' 65' ' ' VAL . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.626 ' HD3' ' HE2' ' A' ' 30' ' ' HIS . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.7 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.505 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.532 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.49 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.628 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.628 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.468 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.698 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.495 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.567 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.673 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.6 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.664 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.512 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.532 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.495 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.596 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HG12 ' NE1' ' A' ' 26' ' ' TRP . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' N ' ' A' ' 33' ' ' VAL . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.675 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.567 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 16' ' ' ILE . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.4 t-20 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.474 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' C ' HD13 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.441 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CD2' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.615 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.731 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.684 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.546 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.566 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.626 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.544 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.54 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.541 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.54 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.403 ' N ' HD11 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 16' ' ' ILE . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.686 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' O ' ' OG1' ' A' ' 25' ' ' THR . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.561 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.663 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.675 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' ND1' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.482 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.675 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.592 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.575 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 65' ' ' VAL . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.677 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.771 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.503 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.52 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.505 ' CD1' HG22 ' A' ' 28' ' ' ILE . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.532 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' N ' HG21 ' A' ' 8' ' ' VAL . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 16' ' ' ILE . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.502 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.606 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.634 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.458 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.582 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.657 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.707 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.657 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.558 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.634 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.597 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.536 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.536 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.599 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.481 ' C ' HD13 ' A' ' 16' ' ' ILE . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 82' ' ' GLU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.9 t-80 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.576 ' HA2' ' ND2' ' A' ' 20' ' ' ASN . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.457 ' C ' HG22 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.539 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.609 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.532 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.609 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.584 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.635 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 16' ' ' ILE . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 83' ' ' LEU . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.611 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.641 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.2 t-20 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.494 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.691 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CG ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.516 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' CE1' ' A' ' 43' ' ' HIS . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.691 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.55 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.537 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.45 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.566 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.566 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.622 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.632 ' NE1' ' CD1' ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.614 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.509 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.663 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' CA ' HD12 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 78' ' ' PHE . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CE1' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.427 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CB ' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.543 HG12 ' CE1' ' A' ' 43' ' ' HIS . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA2' ' OD1' ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA3' HD13 ' A' ' 28' ' ' ILE . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.614 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.404 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.663 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.632 ' CD1' ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.613 ' CD2' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.509 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.55 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ILE . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.435 ' C ' HD13 ' A' ' 16' ' ' ILE . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.669 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' THR . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.529 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD21 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CD2' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.699 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.678 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.441 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 43' ' ' HIS . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.534 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.445 ' CE1' HG12 ' A' ' 65' ' ' VAL . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.641 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.673 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' OD1' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.623 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.623 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.475 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 87' ' ' ASP . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.481 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 20' ' ' ASN . 1.7 m-80 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.537 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.537 ' OG1' ' HA ' ' A' ' 22' ' ' SER . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.74 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.65 ' CE1' HD12 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.683 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.74 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' OG ' ' A' ' 75' ' ' SER . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.513 ' CD1' HG23 ' A' ' 28' ' ' ILE . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.538 ' C ' ' O ' ' A' ' 101' ' ' THR . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.495 ' N ' ' CG1' ' A' ' 102' ' ' ILE . 24.2 t0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.684 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.684 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 91' ' ' ILE . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.595 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.682 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.569 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.943 ' CH2' ' HB3' ' A' ' 35' ' ' ASP . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.535 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.943 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.608 ' CD1' HD12 ' A' ' 74' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.596 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.603 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.831 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.831 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.599 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.558 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.458 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.792 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG21 ' A' ' 8' ' ' VAL . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' HD13 ' A' ' 16' ' ' ILE . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.532 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.715 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 39' ' ' PHE . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.624 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.711 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA3' HD13 ' A' ' 28' ' ' ILE . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.586 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.617 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.743 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.508 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.665 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.557 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.625 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.817 ' CZ3' ' CB ' ' A' ' 35' ' ' ASP . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.636 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.492 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.675 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.448 ' ND1' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.675 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.619 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.734 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.665 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.64 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.512 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.514 ' C ' ' O ' ' A' ' 91' ' ' ILE . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 100' ' ' THR . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 99' ' ' ILE . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.645 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.616 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' C ' HD13 ' A' ' 16' ' ' ILE . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.697 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.541 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG21 ' CA ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.681 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CA ' ' HG2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' CA ' ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.697 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.531 ' HA2' ' ND2' ' A' ' 20' ' ' ASN . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HA ' ' CB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 53' ' ' GLN . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.676 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.528 HD13 ' CE2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.645 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.636 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.468 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.584 ' CE2' ' CG ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.54 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.584 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.971 ' CH2' ' HB3' ' A' ' 35' ' ' ASP . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' N ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 59.6 t-80 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.502 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.671 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.506 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' N ' HG21 ' A' ' 59' ' ' THR . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.583 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.681 HD11 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 102' ' ' ILE . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.402 ' N ' ' HG1' ' A' ' 101' ' ' THR . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 16' ' ' ILE . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 83' ' ' LEU . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.559 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.502 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' CG1' HD11 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.751 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 36' ' ' LEU . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.625 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.625 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.751 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.502 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.565 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.55 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -166.97 77.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.52 166.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -172.6 153.87 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -177.88 142.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -172.44 177.74 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 69.26 93.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.53 -57.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.64 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' O ' HD13 ' A' ' 16' ' ' ILE . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 28' ' ' ILE . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' O ' ' OG1' ' A' ' 25' ' ' THR . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.502 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.658 ' HE2' ' HE ' ' A' ' 72' ' ' ARG . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.677 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.753 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' HG23 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 28' ' ' ILE . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.533 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.661 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.639 ' CG1' ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.639 ' CE1' ' CG1' ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.487 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.658 ' HE ' ' HE2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.506 ' CG2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.47 ' HB ' ' CG1' ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.603 ' N ' ' O ' ' A' ' 88' ' ' ARG . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -169.41 91.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.92 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.622 ' C1D' HG22 ' A' ' 65' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.74 111.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 172.19 171.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.0 p -173.99 172.99 3.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 176.84 172.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.03 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -173.76 93.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.585 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.48 -73.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.2 t-20 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.534 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HD13 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.456 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.615 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.524 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 43' ' ' HIS . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.638 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.485 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.534 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' HB3' ' CBC' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.559 ' CE1' HG23 ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB2' ' CMA' ' A' ' 105' ' ' HEM . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.487 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.558 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.506 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 66.91 136.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.592 ' C4D' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.69 -64.02 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.17 168.17 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.6 p -164.22 153.28 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 153.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.28 144.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -165.11 108.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.581 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.58 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.513 ' C ' HD13 ' A' ' 16' ' ' ILE . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' A' ' 91' ' ' ILE . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.576 ' CG2' HD12 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.508 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.52 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.4 t-20 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' OG1' ' A' ' 25' ' ' THR . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CE3' HD13 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.576 HD12 ' CG2' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.615 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CA ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.699 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.529 ' CD2' ' C4A' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.605 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.462 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.419 ' HB3' ' CBC' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' HZ ' ' HE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.528 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.636 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.58 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 ' O ' ' C ' ' A' ' 92' ' ' THR . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.4 169.37 23.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.189 . . . . 0.0 109.962 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.621 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 178.15 175.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -174.31 164.41 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 173.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 174.08 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -171.59 -177.89 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -89.42 158.24 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.06 -65.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.72 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.503 ' C ' HD13 ' A' ' 16' ' ' ILE . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.8 t-20 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.495 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 82' ' ' GLU . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' OD1' ' CE2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.666 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 36' ' ' LEU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.594 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.666 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.604 ' CD1' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.661 ' CD1' ' CE3' ' A' ' 26' ' ' TRP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' HG11 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.402 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.7 166.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.61 ' O2A' ' C2A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.08 179.86 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -176.0 172.33 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 175.87 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -154.37 -175.08 5.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 11.9 mttt -168.47 114.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 165.84 88.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.226 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.3 -54.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.627 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.549 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' O ' ' OG1' ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.673 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE2' ' CG ' ' A' ' 78' ' ' PHE . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.533 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.56 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.596 ' CG2' ' CHD' ' A' ' 105' ' ' HEM . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.492 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.61 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.466 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.422 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.624 HG21 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.671 ' CG ' ' CE2' ' A' ' 39' ' ' PHE . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.491 HD13 ' CD2' ' A' ' 26' ' ' TRP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 92' ' ' THR . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.93 173.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.626 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.91 105.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.81 169.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 158.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 10.5 t -175.14 172.86 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 173.7 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.356 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 163.46 101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.64 -63.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.644 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.62 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 16' ' ' ILE . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.62 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t-20 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.62 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.813 ' NE2' ' HE ' ' A' ' 72' ' ' ARG . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.69 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.496 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.578 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.69 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.525 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.542 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' HG13 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD2' ' ND1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.813 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.468 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.15 -65.15 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.542 ' CMC' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.31 162.69 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 177.75 164.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 p 178.51 173.7 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.576 1.173 . . . . 0.0 110.003 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 179.82 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.41 138.7 11.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 173.57 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.61 -62.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' GLU . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.483 ' C ' HD13 ' A' ' 16' ' ' ILE . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' O ' ' CG2' ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' O ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.678 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.437 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CE1' HG23 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG23 ' CE1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 20' ' ' ASN . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.52 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.497 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' ASN . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.628 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.482 ' CG2' ' CE1' ' A' ' 78' ' ' PHE . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.663 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.563 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.563 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.92 156.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.076 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.577 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -152.26 156.95 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -171.94 174.14 4.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.04 156.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -176.12 169.13 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.84 177.16 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 158.4 15.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -43.08 -67.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.617 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' C ' HD13 ' A' ' 16' ' ' ILE . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.1 t-20 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.524 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.681 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.543 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG13 ' CD1' ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.479 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.673 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.673 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.524 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.607 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.543 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 ' CD1' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB3' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.653 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.653 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 178.42 173.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.607 ' CMC' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 179.81 138.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -178.38 164.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 p 168.81 147.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 158.55 0.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 171.72 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.51 78.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.23 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.09 -61.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' O ' HD13 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.699 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 25' ' ' THR . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.6 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.696 ' HE2' ' HD3' ' A' ' 72' ' ' ARG . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.631 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.596 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 63.0 t-80 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.825 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 61' ' ' ASN . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.663 ' CZ ' ' NE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.601 HG12 ' CE1' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CE1' HG12 ' A' ' 65' ' ' VAL . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.696 ' HD3' ' HE2' ' A' ' 30' ' ' HIS . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.614 ' CG2' ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.614 ' CD1' ' CG2' ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.592 HD11 ' CH2' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' CD2' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -43.49 132.09 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.825 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.11 83.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -179.99 126.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p 178.15 136.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.058 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.17 148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tttp 178.6 72.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 177.27 106.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.26 -69.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' HD13 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 28' ' ' ILE . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.577 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.454 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.48 HG21 ' CB ' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.555 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD21 ' CB ' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' CB ' HD21 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.632 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.707 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.521 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 28' ' ' ILE . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.555 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CD2' ' ND1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.594 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.484 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.469 ' OG1' ' CD1' ' A' ' 102' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.85 154.25 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.029 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.616 ' C4D' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.68 166.33 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.01 173.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -177.17 172.9 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.26 166.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 110.017 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 4.9 tttt -175.66 105.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 167.4 85.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -38.45 -62.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.516 ' C ' HD13 ' A' ' 16' ' ' ILE . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 33.0 m80 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.686 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' CE1' HG23 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HG2' HAD2 ' A' ' 105' ' ' HEM . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.486 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.485 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' HG23 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.553 HD11 ' CE3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.571 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.5 ' CD1' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -117.23 -50.5 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.599 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -155.62 52.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -178.62 175.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.21 151.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.98 148.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.065 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -179.51 4.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -111.13 150.29 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -37.85 -70.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 16' ' ' ILE . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.722 ' CD2' ' CD1' ' A' ' 26' ' ' TRP . 3.3 m80 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.69 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.547 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.722 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.612 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.634 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' CB ' HD12 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.599 ' CE1' ' CG1' ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' CG ' HAA1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.599 ' CG1' ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.767 HE22 ' CHC' ' A' ' 105' ' ' HEM . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.522 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.634 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.663 HD11 ' CE3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' C ' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' CG ' ' HG3' ' A' ' 63' ' ' GLU . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -148.32 172.26 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.991 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.767 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.16 176.64 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -156.71 162.56 39.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.387 1.055 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -178.36 156.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.21 160.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 174.22 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.354 1.034 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -102.68 132.95 48.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.11 -70.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CD2' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.841 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 11.8 m-70 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' O ' ' OG1' ' A' ' 25' ' ' THR . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.521 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.841 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.655 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' ' CG2' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.451 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' O ' HG11 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.586 ' CG2' ' CHD' ' A' ' 105' ' ' HEM . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.665 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.761 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.525 ' CA ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.523 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.647 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 ' O ' HG11 ' A' ' 8' ' ' VAL . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.483 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.533 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.63 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -91.77 -62.46 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.761 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -176.61 147.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.07 166.5 6.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.66 150.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.75 159.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 176.12 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -158.66 73.14 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.33 -63.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' N ' HG21 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 16' ' ' ILE . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.544 ' CD1' HD13 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.561 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.2 t-20 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.51 ' CD1' HG12 ' A' ' 80' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.544 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.729 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.675 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.588 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CE1' ' A' ' 43' ' ' HIS . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.664 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' ' CMA' ' A' ' 105' ' ' HEM . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.578 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.602 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.525 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.523 HD12 ' CD2' ' A' ' 83' ' ' LEU . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -164.94 164.68 20.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.548 ' CAB' ' CD1' ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.52 164.03 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.3 171.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.34 152.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.26 158.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -174.65 88.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -166.8 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.672 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.87 -70.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.19 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.672 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.543 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.486 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.491 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD13 ' CAB' ' A' ' 105' ' ' HEM . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' HG21 ' A' ' 28' ' ' ILE . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' HD13 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.524 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' GLY . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.635 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.658 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.553 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.515 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.554 HG22 ' C1D' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.535 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.611 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.619 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.543 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.517 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 81' ' ' GLY . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.09 -54.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.595 ' C4D' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.63 157.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 172.0 122.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.4 p -177.21 117.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.951 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -178.46 120.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 2.3 pttp -174.32 161.51 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 80.44 93.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.05 -63.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.633 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' HD13 ' A' ' 16' ' ' ILE . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' HD22 ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.585 ' ND2' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 37' ' ' THR . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.53 ' CG2' ' HB1' ' A' ' 54' ' ' ALA . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.67 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.443 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.674 ' CE1' ' ND ' ' A' ' 105' ' ' HEM . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' LEU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.582 ' CG2' ' CE1' ' A' ' 43' ' ' HIS . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.572 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.515 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.487 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HB ' ' CG1' ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.554 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.544 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.601 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -59.08 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 110.002 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.674 ' ND ' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.66 92.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.613 1.196 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.54 158.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.2 p -178.18 139.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 24.1 p -178.05 151.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER 169.87 164.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 72.92 78.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.98 -60.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.172 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.52 ' C ' HD13 ' A' ' 16' ' ' ILE . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.643 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.565 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' H ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.697 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CG ' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.625 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.521 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.48 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -109.11 -50.61 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.936 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.626 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 136.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -172.9 134.78 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 -179.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.9 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.49 112.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.88 -60.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.496 ' C ' HD13 ' A' ' 16' ' ' ILE . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 6.3 t-20 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.509 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.676 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.572 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.527 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.616 ' CG2' ' CHD' ' A' ' 105' ' ' HEM . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.676 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.656 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.509 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.548 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.579 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.486 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 75' ' ' SER . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.6 HG21 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG21 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.496 ' O ' HG11 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.612 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.561 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.594 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.91 172.71 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.656 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.54 176.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.324 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -171.23 177.93 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.7 175.83 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.06 177.61 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -177.42 152.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.376 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 161.79 95.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.607 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -40.79 -70.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.453 ' C ' HD13 ' A' ' 16' ' ' ILE . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.617 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' C ' ' A' ' 81' ' ' GLY . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.692 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' LEU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' HG23 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.483 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.554 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.617 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.521 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.517 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 59' ' ' THR . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.613 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' O ' ' OG ' ' A' ' 75' ' ' SER . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.692 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.484 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.668 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.668 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.573 ' O ' ' C ' ' A' ' 92' ' ' THR . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.62 171.52 14.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.613 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.87 55.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 178.87 174.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.32 171.72 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 110.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.57 170.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.0 125.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -178.29 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.643 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -38.82 -76.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.225 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 28' ' ' ILE . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' N ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.688 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.656 ' OD2' ' CZ2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.68 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.463 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.568 ' CD2' ' C4A' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.49 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.606 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.68 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.589 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.688 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.533 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.638 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.594 ' CE1' HG12 ' A' ' 65' ' ' VAL . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.625 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.548 ' CD2' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.508 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.46 168.72 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.58 ' CMC' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.68 174.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.43 143.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.58 120.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.905 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -175.56 139.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.891 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.7 171.33 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -130.59 146.21 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.671 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.5 -69.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.925 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.554 ' N ' HG21 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.671 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 28' ' ' ILE . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 2.1 m-80 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' HE2' ' HD2' ' A' ' 72' ' ' ARG . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.432 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CE1' HD12 ' A' ' 74' ' ' LEU . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.606 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.641 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.782 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.662 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.619 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.546 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.736 ' HD2' ' HE2' ' A' ' 30' ' ' HIS . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.532 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.613 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.543 HG21 ' CD2' ' A' ' 78' ' ' PHE . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' HG21 ' A' ' 77' ' ' THR . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.507 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.537 HD12 ' CD2' ' A' ' 83' ' ' LEU . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -146.93 89.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.946 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.782 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 177.92 169.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.13 164.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.3 p -179.66 164.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.904 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.94 140.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -174.05 171.05 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 68.54 89.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.618 1.198 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.67 -56.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.485 ' C ' HD13 ' A' ' 16' ' ' ILE . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.664 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' OG1' ' A' ' 25' ' ' THR . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.571 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.664 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.624 ' HE2' ' HE ' ' A' ' 72' ' ' ARG . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' CG1' HD11 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.608 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.564 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.608 HG12 ' CE1' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.484 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' HB3' ' CBC' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HE ' ' HE2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.596 HG21 ' CD1' ' A' ' 78' ' ' PHE . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.948 ' CD1' ' CE1' ' A' ' 39' ' ' PHE . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.649 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.574 HD13 ' CE3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.615 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.615 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.96 175.55 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.587 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.86 177.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -153.48 167.2 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.25 169.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.063 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.87 167.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 178.86 3.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -107.12 136.95 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.61 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.94 -58.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 17' ' ' GLN . 1.9 m-80 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.663 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.687 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.597 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.597 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.497 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.594 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.599 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.542 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.663 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.459 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.594 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 91' ' ' ILE . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.46 170.13 18.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.416 1.072 . . . . 0.0 109.945 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.67 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 170.51 121.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.53 125.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 5' ' ' SER . 87.3 p -179.64 117.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.6 OUTLIER 165.53 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.08 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -176.39 73.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.217 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -172.78 88.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -36.47 -65.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD1' ' CB ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.526 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.609 ' CD1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HD11 ' A' ' 80' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.695 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.685 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' CG ' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.598 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.685 HG12 ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.526 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.581 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.489 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CE1' HG23 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' ' CMA' ' A' ' 105' ' ' HEM . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.642 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.609 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -171.31 167.42 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.897 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.595 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.61 168.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 173.47 163.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -178.88 177.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -167.85 174.07 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.19 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 5' ' ' SER . 20.1 mttt 170.14 -175.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.34 69.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.607 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.77 -63.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' C ' HD13 ' A' ' 16' ' ' ILE . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' HG2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.629 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG21 ' C ' ' A' ' 81' ' ' GLY . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.722 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.626 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.626 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.722 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.728 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 HG21 ' CD1' ' A' ' 78' ' ' PHE . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 38' ' ' LYS . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.48 ' C ' HG21 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.517 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.557 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.553 ' O ' ' C ' ' A' ' 92' ' ' THR . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.557 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.52 164.99 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.728 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.12 107.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.62 114.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -175.84 150.88 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.525 1.141 . . . . 0.0 110.089 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 125.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -163.68 91.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.356 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 53.51 87.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -31.24 -65.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.49 ' C ' HD13 ' A' ' 16' ' ' ILE . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' A' ' 83' ' ' LEU . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' CG2' ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD2' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.615 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.701 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.528 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.529 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.488 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' C1D' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.528 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.558 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.558 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -51.35 179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.937 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.598 ' CAB' ' CD1' ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.01 174.61 10.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -172.28 174.15 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.4 p -172.02 172.52 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.76 176.08 9.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.6 119.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.394 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 176.98 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.38 -66.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' HD13 ' A' ' 16' ' ' ILE . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.607 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' OD1' ' HA2' ' A' ' 55' ' ' GLY . 2.2 m-80 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CD1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.65 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' C ' HD13 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.7 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.452 ' ND1' ' HD2' ' A' ' 44' ' ' PRO . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.684 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.44 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 61' ' ' ASN . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CZ ' ' NE2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.618 ' CE1' HG12 ' A' ' 65' ' ' VAL . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.626 ' HD3' ' HE2' ' A' ' 30' ' ' HIS . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.7 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.505 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.532 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.49 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -49.87 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.926 179.907 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.577 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -107.69 -58.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.94 159.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.35 158.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.091 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -176.34 167.83 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 178.3 118.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 6' ' ' LYS . . . 164.99 71.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.628 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.6 -64.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.628 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.468 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.698 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.673 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.514 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.6 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.664 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.512 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.495 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.596 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HG12 ' NE1' ' A' ' 26' ' ' TRP . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' N ' ' A' ' 33' ' ' VAL . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.675 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.563 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.567 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -135.67 175.87 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.557 ' C2C' ' NE2' ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 176.27 172.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 176.51 171.29 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 176.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.69 173.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.087 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -175.12 -173.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.04 142.67 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -40.84 -72.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 16' ' ' ILE . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.4 t-20 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.474 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' C ' HD13 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.441 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CD2' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.615 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.731 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.684 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.546 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.566 HD12 ' CD1' ' A' ' 26' ' ' TRP . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.626 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.544 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.54 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.541 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.54 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.403 ' N ' HD11 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 168.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.905 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.617 ' O1A' ' C2A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -166.48 79.49 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 171.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.86 162.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 0.0 110.046 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p 178.46 153.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -163.66 -179.95 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -91.01 137.1 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -28.98 -62.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 16' ' ' ILE . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.686 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' O ' ' OG1' ' A' ' 25' ' ' THR . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.561 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.663 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.675 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.482 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.675 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.592 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.622 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.575 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 67' ' ' HIS . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 65' ' ' VAL . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.677 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.771 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.503 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.505 ' CD1' HG22 ' A' ' 28' ' ' ILE . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.532 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.94 176.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.976 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.622 ' CMC' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.97 165.84 26.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -177.65 165.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -179.24 163.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.053 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -177.87 158.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -168.83 -178.33 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -118.2 149.49 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -33.23 -64.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' N ' HG21 ' A' ' 8' ' ' VAL . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 16' ' ' ILE . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.502 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.606 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.634 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.659 ' CE1' ' C4D' ' A' ' 105' ' ' HEM . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.582 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.657 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.707 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.657 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.558 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.634 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.587 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.597 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD11 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.536 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.536 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.25 171.94 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.659 ' C4D' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 173.81 158.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.34 138.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' SER . 9.3 t -178.91 138.81 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 4' ' ' SER . 1.2 m 158.56 130.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.8 OUTLIER 172.86 178.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.935 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 64.43 87.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.65 -65.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.599 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.481 ' C ' HD13 ' A' ' 16' ' ' ILE . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 82' ' ' GLU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.9 t-80 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.576 ' HA2' ' ND2' ' A' ' 20' ' ' ASN . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB2' ' CMA' ' A' ' 105' ' ' HEM . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 74' ' ' LEU . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.457 ' C ' HG22 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.539 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.609 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.532 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.609 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 -47.0 154.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.972 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.604 ' C2A' ' O1A' ' A' ' 105' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.36 172.81 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.26 173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.47 171.53 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 164.1 32.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -160.12 167.36 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 71.34 66.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.355 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -31.2 -54.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.584 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.635 ' CD2' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 16' ' ' ILE . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 83' ' ' LEU . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.611 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.641 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.2 t-20 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.494 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.691 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CZ ' ' CHB' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.516 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' CE1' ' A' ' 43' ' ' HIS . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.691 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.537 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.45 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.566 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.566 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -176.24 -63.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.634 ' CHB' ' CZ ' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 178.68 134.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -174.66 164.57 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.92 135.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 129.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 179.58 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.86 86.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.622 HG21 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.87 -66.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.632 ' NE1' ' CD1' ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.614 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.509 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.663 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' CA ' HD12 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 78' ' ' PHE . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CE1' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.427 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CB ' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.656 ' CG2' ' CHD' ' A' ' 105' ' ' HEM . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.737 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' O ' ' OD1' ' A' ' 20' ' ' ASN . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA2' ' OD1' ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA3' HD13 ' A' ' 28' ' ' ILE . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.614 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.663 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.632 ' CD1' ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.613 ' CD2' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.509 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.55 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ILE . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 176.2 162.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.948 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.737 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.84 170.86 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.22 155.46 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.27 153.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.75 152.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 110.057 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -174.25 102.05 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 176.93 70.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -30.05 -61.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.435 ' C ' HD13 ' A' ' 16' ' ' ILE . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.669 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' THR . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.529 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD21 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CD2' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.699 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.678 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CZ ' ' CHB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.441 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 43' ' ' HIS . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.664 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.534 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.56 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' CB ' HMA2 ' A' ' 105' ' ' HEM . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.641 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.673 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' OD1' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.623 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.623 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.475 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -179.95 119.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.067 -179.978 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.664 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.35 155.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.12 158.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.568 1.167 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 p 174.36 161.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.65 160.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.86 -174.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 67.88 88.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.52 -55.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 87' ' ' ASP . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.481 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 20' ' ' ASN . 1.7 m-80 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.537 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.537 ' OG1' ' HA ' ' A' ' 22' ' ' SER . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.74 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.65 ' CE1' HD12 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HG2' HAD2 ' A' ' 105' ' ' HEM . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.683 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.74 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' OG ' ' A' ' 75' ' ' SER . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.513 ' CD1' HG23 ' A' ' 28' ' ' ILE . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.538 ' C ' ' O ' ' A' ' 101' ' ' THR . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.495 ' N ' ' CG1' ' A' ' 102' ' ' ILE . 24.2 t0 66.16 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.918 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.623 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.57 160.19 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.9 175.5 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.55 170.4 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.962 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 174.06 15.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -169.93 124.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.5 88.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.684 ' CG2' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.84 -69.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.684 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 91' ' ' ILE . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.595 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.682 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.569 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.943 ' CH2' ' HB3' ' A' ' 35' ' ' ASP . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.943 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.608 ' CD1' HD12 ' A' ' 74' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.596 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.603 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.831 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.831 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.599 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.558 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' CG ' ' CBC' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.458 ' HE ' ' NE2' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.792 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.79 176.45 8.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.973 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.593 ' CMC' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.07 125.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 176.01 179.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.68 169.67 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.601 1.188 . . . . 0.0 109.935 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -165.72 162.63 18.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -176.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.217 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 60.16 75.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -33.39 -52.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG21 ' A' ' 8' ' ' VAL . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' HD13 ' A' ' 16' ' ' ILE . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' ' 28' ' ' ILE . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.532 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.715 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.624 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.711 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA3' HD13 ' A' ' 28' ' ' ILE . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.586 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.59 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.651 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.617 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.743 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.508 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.14 170.79 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.651 ' NC ' ' CE1' ' A' ' 67' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.27 -179.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -162.74 160.0 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -172.52 172.11 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.67 173.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 179.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.35 168.52 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -47.97 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.665 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 28' ' ' ILE . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.557 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.625 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.817 ' CZ3' ' CB ' ' A' ' 35' ' ' ASP . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.636 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.675 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.562 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.675 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.827 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CG ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.619 HD23 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.734 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.665 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.64 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.512 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.514 ' C ' ' O ' ' A' ' 91' ' ' ILE . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 100' ' ' THR . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 99' ' ' ILE . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -127.53 141.37 51.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 -179.972 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.827 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.88 169.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 179.54 175.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p 174.46 166.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.932 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.82 163.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.17 115.26 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 173.92 80.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.89 -62.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.625 1.203 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.645 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.616 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' C ' HD13 ' A' ' 16' ' ' ILE . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.697 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.541 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG21 ' CA ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.681 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CA ' ' HG2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' CA ' ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.697 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.531 ' HA2' ' ND2' ' A' ' 20' ' ' ASN . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HA ' ' CB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 53' ' ' GLN . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.676 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.528 HD13 ' CE2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.645 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.636 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.468 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 174.18 162.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -180.0 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.527 ' C1C' ' CE1' ' A' ' 67' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -118.21 -60.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -173.19 172.6 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.28 171.33 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.092 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.8 176.37 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -173.51 100.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.11 90.16 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -44.99 -64.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.536 1.148 . . . . 0.0 109.386 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.584 ' CE2' ' CG ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.54 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.584 ' CG2' ' CB ' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.971 ' CH2' ' HB3' ' A' ' 35' ' ' ASP . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' N ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 59.6 t-80 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.502 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HG3' HAA1 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.671 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' CB ' ' CG2' ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' HB3' ' CMC' ' A' ' 105' ' ' HEM . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.506 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' N ' HG21 ' A' ' 59' ' ' THR . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.583 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.681 HD11 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 91' ' ' ILE . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 102' ' ' ILE . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.402 ' N ' ' HG1' ' A' ' 101' ' ' THR . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.28 -69.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.521 ' CHB' ' HE2' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.46 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 171.81 19.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.51 173.68 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -163.72 175.11 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 109.943 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -166.2 175.69 8.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -87.64 134.98 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -25.19 -58.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 16' ' ' ILE . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 83' ' ' LEU . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.559 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' CG1' HD11 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.751 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 36' ' ' LEU . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.625 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.625 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.751 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HA ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' CB ' ' OE1' ' A' ' 53' ' ' GLN . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.502 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.565 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 8' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.55 ' O ' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -176.88 148.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.902 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' HEM . . . . . 0.553 ' NA ' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.843 HG11 HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.402 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t30 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.781 HD13 HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.103 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' H ' ' CB ' ' A' ' 59' ' ' THR . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.101 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.908 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.757 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.101 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.02 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.983 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.55 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.103 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.782 HG11 ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.782 ' CE1' HG11 ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.902 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.499 HH21 ' CD2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.843 HD12 HG11 ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.951 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.75 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.756 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.02 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.756 HG22 ' HA ' ' A' ' 89' ' ' SER . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.438 HD12 HG22 ' A' ' 101' ' ' THR . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' THR . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.891 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.574 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.891 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 22.6 t30 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.882 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.707 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.063 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.554 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HG11 ' A' ' 49' ' ' VAL . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.793 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 46' ' ' GLY . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.068 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.063 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.554 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.682 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.897 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.851 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.87 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' O ' ' HB ' ' A' ' 92' ' ' THR . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 92' ' ' THR . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.96 HG21 HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.913 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.52 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 22.6 t30 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.507 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.648 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.109 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.004 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.852 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HE2' ' HZ ' ' A' ' 62' ' ' PHE . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' C ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.736 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.078 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.614 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.605 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.078 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 17' ' ' GLN . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.944 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.109 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.482 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.852 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.998 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.736 HD13 ' OD2' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.563 ' C ' HG23 ' A' ' 33' ' ' VAL . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.823 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.944 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.129 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 16.8 t30 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.925 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.734 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.129 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' C ' ' A' ' 81' ' ' GLY . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.914 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.113 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.928 ' CE1' HD11 ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.743 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.113 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.925 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.988 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.928 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.914 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.687 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.653 ' N ' HG12 ' A' ' 33' ' ' VAL . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.529 ' HA ' HG22 ' A' ' 92' ' ' THR . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.724 HG11 ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.974 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.001 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 20.3 t30 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.94 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.724 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.007 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.093 HG21 HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HD12 ' A' ' 28' ' ' ILE . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' OD2' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.052 HD13 ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.911 ' CE1' HD11 ' A' ' 74' ' ' LEU . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.876 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.945 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.052 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.94 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.024 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.007 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.506 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.997 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 77' ' ' THR . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' OD2' ' A' ' 35' ' ' ASP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.974 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.658 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.093 HD11 HG21 ' A' ' 28' ' ' ILE . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.917 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.917 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.017 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.15 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 18.4 t30 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.838 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.15 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 82' ' ' GLU . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.867 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.151 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.766 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' CG ' HD23 ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 46' ' ' GLY . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.151 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.922 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.835 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' NE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.855 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.867 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.543 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.038 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 8' ' ' VAL . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.936 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 8.2 t-20 -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 1.009 ' O ' HG23 ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.009 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.131 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.673 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.947 ' ND1' HG11 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.791 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.947 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.034 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.974 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.518 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 63' ' ' GLU . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.629 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 74' ' ' LEU . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.701 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.691 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.841 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.585 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.974 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.585 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.639 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.639 ' N ' HD13 ' A' ' 98' ' ' ILE . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.433 HG23 ' C ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.814 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.827 HD12 ' OD1' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.215 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 24.3 t30 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.813 HG21 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.839 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.127 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.215 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 HD11 ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.083 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.486 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.822 ' O ' HD13 ' A' ' 50' ' ' LEU . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 25' ' ' THR . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.886 ' CE1' HG21 ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.78 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.886 HG21 ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.083 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.649 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.561 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.422 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.566 ' ND1' HG22 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.836 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 1.019 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.906 HD11 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.602 HD23 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.827 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.663 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.663 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.814 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 99' ' ' ILE . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 98' ' ' ILE . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.804 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.804 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.837 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.699 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.8 t30 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.778 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.952 HD13 HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.792 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.759 ' ND1' HD22 ' A' ' 29' ' ' LEU . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.086 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.936 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.055 ' CD2' HG11 ' A' ' 49' ' ' VAL . 8.5 t60 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.055 HG11 ' CD2' ' A' ' 43' ' ' HIS . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.086 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.847 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.607 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.5 t-20 -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.792 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.966 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.907 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD1' HG22 ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.586 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.837 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.657 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.58 ' O ' HD12 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 87' ' ' ASP . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.625 HD13 HD11 ' A' ' 28' ' ' ILE . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.577 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 17.0 t30 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.039 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.936 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.056 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.986 ' ND1' HG11 ' A' ' 49' ' ' VAL . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.906 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.986 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.685 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.041 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.039 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.499 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.95 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.776 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 13' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.041 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.654 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 101' ' ' THR . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' CG ' ' A' ' 86' ' ' ASP . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.88 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.088 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 78.2 m-70 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 17.5 t30 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.762 ' O ' HG23 ' A' ' 25' ' ' THR . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.82 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.088 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG22 ' C ' ' A' ' 81' ' ' GLY . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.029 HD13 ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.946 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.807 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.029 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.779 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.543 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.9 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.849 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.74 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.839 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' CG ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.88 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 98' ' ' ILE . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' GLU . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.028 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.582 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 3.6 m-70 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.527 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 20.2 t30 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.582 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.053 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 80' ' ' ILE . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.663 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.416 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.035 ' CE1' HG11 ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.971 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.035 HG11 ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.007 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 50' ' ' LEU . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.053 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.003 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.89 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.89 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' HG3' ' A' ' 32' ' ' LYS . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.911 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.028 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.627 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.908 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.026 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HG3' HG23 ' A' ' 59' ' ' THR . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 103' ' ' ASP . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.644 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.653 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 16' ' ' ILE . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.797 ' CD2' ' CD2' ' A' ' 26' ' ' TRP . 14.6 m80 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t30 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.797 ' CD2' ' CD2' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.988 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.634 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' H ' ' CB ' ' A' ' 59' ' ' THR . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG22 ' C ' ' A' ' 81' ' ' GLY . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.833 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.057 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.037 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.657 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.658 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.057 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.649 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.032 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.854 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.72 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.833 HG21 ' OD1' ' A' ' 35' ' ' ASP . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.732 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.693 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.032 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.904 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.904 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.562 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.018 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.078 HD13 HD11 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.561 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 18.4 t30 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.648 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.97 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.078 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.014 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.49 ' HB3' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.768 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.998 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.001 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.014 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.916 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.916 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.895 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.625 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.001 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.744 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.9 t30 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.023 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD11 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.692 ' HB2' HD11 ' A' ' 27' ' ' LEU . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.067 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.03 ' CE2' HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.828 ' CE1' HG21 ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.928 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.729 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.928 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.067 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.886 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.69 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.625 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.03 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.781 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.903 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.528 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.988 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.114 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.435 ' OD1' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.553 ' C ' ' HG1' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' HB2' ' A' ' 36' ' ' LEU . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.916 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.114 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.579 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.104 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.826 ' CD1' HD11 ' A' ' 74' ' ' LEU . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.913 ' CE1' HG21 ' A' ' 49' ' ' VAL . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.989 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.104 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.741 ' CB ' HG23 ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.916 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.651 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.602 HG22 ' ND1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.602 ' ND1' HG22 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.935 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' GLU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.009 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.776 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.579 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.009 HD13 HD23 ' A' ' 83' ' ' LEU . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.579 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.007 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.643 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.885 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.097 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.023 HG21 HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.847 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.14 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.684 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.986 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HG2' HD23 ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.14 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.023 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.097 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.847 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.928 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.959 ' O ' HG22 ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.007 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.803 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.769 ' HA ' HG22 ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.023 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 89' ' ' SER . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.945 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.158 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.2 t30 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.864 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.158 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.795 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.882 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.864 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.934 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.544 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.659 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.576 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.957 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.957 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.59 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CD1' HG22 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.743 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.558 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.578 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.62 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.6 t30 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.8 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.05 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.848 HG21 HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.719 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.875 HG23 HD12 ' A' ' 80' ' ' ILE . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.691 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.457 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 47' ' ' GLU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.972 ' ND1' HG11 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.8 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.883 ' HB3' HD22 ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.972 HG11 ' ND1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.879 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.05 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.719 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.938 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 74' ' ' LEU . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.964 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.746 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.752 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.669 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.064 HD13 HD23 ' A' ' 83' ' ' LEU . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.618 ' O ' HD12 ' A' ' 16' ' ' ILE . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.733 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 12' ' ' THR . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 5.3 t30 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.887 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.084 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG12 HD11 ' A' ' 80' ' ' ILE . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.8 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.027 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.438 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.606 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.027 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.052 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.733 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.617 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 1.056 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.538 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.944 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.084 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.052 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 101' ' ' THR . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 100' ' ' THR . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 103' ' ' ASP . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.457 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.0 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' A' ' 83' ' ' LEU . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.776 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.2 m120 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.977 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 80' ' ' ILE . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.64 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.965 ' ND1' HG11 ' A' ' 49' ' ' VAL . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.036 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.022 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.775 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.582 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.638 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.477 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.91 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.704 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.977 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.022 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.413 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.216 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 16.6 t30 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.572 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.93 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.942 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.216 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.84 HG12 HD13 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.114 HD13 ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.43 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 25' ' ' THR . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.92 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.914 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.92 HG11 ' CG ' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.114 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.93 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.966 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.942 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.505 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.45 HH21 ' CD2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.021 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 74' ' ' LEU . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CZ ' HD11 ' A' ' 74' ' ' LEU . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.65 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.478 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.645 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.92 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 83' ' ' LEU . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.621 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.11 HD11 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 102' ' ' ILE . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 13' ' ' LEU . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.776 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.2 m120 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.916 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.888 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.859 HG22 ' C ' ' A' ' 81' ' ' GLY . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.136 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.433 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.742 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.983 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.983 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.136 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.984 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.859 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.659 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.847 HD12 HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.859 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.647 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.87 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.539 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.064 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 HD13 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.228 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 18.0 t30 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.952 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.758 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.228 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.697 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.605 ' CD2' HD22 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 28' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.062 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.78 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.912 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.912 HG12 ' O ' ' A' ' 46' ' ' GLY . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.062 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.562 ' ND1' HG22 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.032 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.996 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.634 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.609 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.996 HD13 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.588 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 98' ' ' ILE . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.777 ' N ' HD13 ' A' ' 102' ' ' ILE . 7.1 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.955 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.146 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.529 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 21.7 t30 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.865 ' O ' HG23 ' A' ' 25' ' ' THR . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' ' HZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.779 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.146 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.94 HG23 HD12 ' A' ' 80' ' ' ILE . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.079 HD13 ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' HD11 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.94 ' ND1' HG11 ' A' ' 49' ' ' VAL . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.962 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.962 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.079 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.695 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.415 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.969 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.87 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.802 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.948 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 77' ' ' THR . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.94 HD12 HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.873 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.067 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.794 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.067 HD13 HD23 ' A' ' 83' ' ' LEU . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.577 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' N ' HG22 ' A' ' 8' ' ' VAL . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 91' ' ' ILE . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 21.9 t30 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.492 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.708 HG23 ' CA ' ' A' ' 82' ' ' GLU . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.822 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.117 HD13 ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.085 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.838 ' CE1' HG21 ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.001 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 46' ' ' GLY . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.117 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.994 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.994 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.822 HD13 ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.708 ' CA ' HG23 ' A' ' 33' ' ' VAL . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.817 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.817 HD11 HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 89' ' ' SER . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.898 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.898 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.011 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.06 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.845 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.1 m120 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.479 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.649 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.785 HD12 ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.06 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.694 ' ND1' HD22 ' A' ' 29' ' ' LEU . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.701 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.128 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.885 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.72 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.128 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.845 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' H ' ' A' ' 30' ' ' HIS . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.2 t-20 -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.713 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.762 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 77' ' ' THR . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.885 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.701 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.042 HD11 HG12 ' A' ' 33' ' ' VAL . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.594 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.011 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.913 ' HB3' HD12 ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.916 HG21 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 98' ' ' ILE . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.964 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.151 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.774 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.078 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.151 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.856 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.513 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.557 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.021 HG12 HD11 ' A' ' 80' ' ' ILE . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.87 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.87 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.961 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.078 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.676 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.021 HD11 HG12 ' A' ' 33' ' ' VAL . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.767 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.019 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.661 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.515 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.019 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.549 ' N ' HG22 ' A' ' 8' ' ' VAL . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.82 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.762 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.663 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 19.9 t30 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.798 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.926 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.792 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.032 HG12 HD11 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.098 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.926 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.098 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.028 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.926 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.931 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.032 HD11 HG12 ' A' ' 33' ' ' VAL . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.623 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.095 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.611 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.611 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.629 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.704 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.095 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.607 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.607 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.049 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.686 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 2.8 t30 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.932 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.946 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.049 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' CE1' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 80' ' ' ILE . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.136 HD22 HD23 ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.73 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 46' ' ' GLY . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.136 HD23 HD22 ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.932 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.992 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.946 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HE ' ' CD2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.613 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.986 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.755 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 13.6 t30 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.759 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.968 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 28' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.138 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.029 ' ND1' HG11 ' A' ' 49' ' ' VAL . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.942 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.029 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.138 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.759 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 91' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.968 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.514 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.947 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' HD12 ' A' ' 13' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 92' ' ' THR . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.537 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.05 HD13 HD23 ' A' ' 83' ' ' LEU . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 101' ' ' THR . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 100' ' ' THR . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.948 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.167 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.167 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.069 ' CD2' HG11 ' A' ' 49' ' ' VAL . 1.9 t60 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.742 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.069 HG11 ' CD2' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.965 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.543 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.927 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.948 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.621 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.611 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.965 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.611 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 96' ' ' GLU . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.222 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.641 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 7.2 t30 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.005 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.907 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.222 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG23 ' CA ' ' A' ' 82' ' ' GLU . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.025 HD13 ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.001 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.661 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.686 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 1.001 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 50' ' ' LEU . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.025 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.996 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.662 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 1.039 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.039 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.652 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.881 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.881 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.575 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.996 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.575 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.789 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.69 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 28' ' ' ILE . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.832 HD22 ' HA3' ' A' ' 55' ' ' GLY . 3.4 m120 -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.732 ' NE1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.037 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.841 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 28' ' ' ILE . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.661 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' HD13 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.071 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 74' ' ' LEU . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.744 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.83 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.569 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.071 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.679 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.832 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.953 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.037 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.723 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.404 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.661 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.732 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.756 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.582 ' HA ' ' CG ' ' A' ' 88' ' ' ARG . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.076 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.921 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.247 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.669 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 5.4 t30 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 23' ' ' LYS . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.033 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.247 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 1.04 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.411 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.981 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.949 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.688 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.949 ' HB3' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 46' ' ' GLY . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.045 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.033 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.648 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.793 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.651 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.74 HG23 ' NH2' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 1.005 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' NH2' HG23 ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.005 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.642 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.547 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.631 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.631 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.857 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 101' ' ' THR . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HD12 ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.869 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.659 HD22 ' HA3' ' A' ' 55' ' ' GLY . 4.5 m120 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.671 HG22 ' HB2' ' A' ' 54' ' ' ALA . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.851 ' ND1' HG11 ' A' ' 49' ' ' VAL . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.851 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.062 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.635 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.787 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.787 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.968 ' CD2' HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.826 ' HB3' HD12 ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.062 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 102' ' ' ILE . 24.2 t0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.787 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.787 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 16' ' ' ILE . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.926 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.597 HD13 HG12 ' A' ' 28' ' ' ILE . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.682 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 1.032 ' CH2' HD13 ' A' ' 80' ' ' ILE . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.915 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.577 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.942 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.115 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.724 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.115 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.832 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.061 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.91 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.577 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.525 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.032 HD13 ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.461 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.926 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.83 ' CB ' HD12 ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.547 ' HA ' HG22 ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.061 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 98' ' ' ILE . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 5.8 t30 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.058 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.821 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.611 ' O ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.146 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.63 ' C ' HD13 ' A' ' 50' ' ' LEU . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 HG21 ' A' ' 25' ' ' THR . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.006 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.006 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.146 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.915 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.058 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.744 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.95 HG22 ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.96 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.639 ' C ' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.54 ' N ' HD13 ' A' ' 99' ' ' ILE . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 8' ' ' VAL . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 1.018 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.627 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.625 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.9 t30 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.984 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 1.132 ' CH2' HD13 ' A' ' 80' ' ' ILE . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.955 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.9 HG12 ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.017 HD13 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 50' ' ' LEU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.844 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.909 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.909 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.017 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.984 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.921 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.51 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.926 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.132 HD13 ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.9 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.065 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.762 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.602 ' HA ' ' CG ' ' A' ' 88' ' ' ARG . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.602 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.065 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.694 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.997 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.12 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.556 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.855 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.945 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.962 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.12 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.674 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.09 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.09 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.569 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.674 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.553 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.61 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.678 ' HA ' HG22 ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.004 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 100' ' ' THR . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 99' ' ' ILE . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.976 ' CH2' HD13 ' A' ' 80' ' ' ILE . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.722 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 24.5 t60 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.969 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.1 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.498 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.909 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.922 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.769 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.931 ' HB3' HD22 ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.922 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.1 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.835 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.789 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.62 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.722 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.714 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.909 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.976 HD13 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 13' ' ' LEU . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.597 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.745 HD11 HG21 ' A' ' 91' ' ' ILE . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.188 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 40' ' ' LEU . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.795 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.188 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 22' ' ' SER . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.812 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.995 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.877 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.712 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -166.97 77.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.52 166.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -172.6 153.87 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -177.88 142.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 19.1 pttt -172.44 177.74 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 69.26 93.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.843 HG11 HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -37.53 -57.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.402 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 3.0 t30 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.781 HD13 HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.103 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' H ' ' CB ' ' A' ' 59' ' ' THR . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.101 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.908 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.757 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.101 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.02 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.983 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.55 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.103 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.782 HG11 ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.782 ' CE1' HG11 ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.902 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.499 HH21 ' CD2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.843 HD12 HG11 ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.951 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.75 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.756 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.02 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.756 HG22 ' HA ' ' A' ' 89' ' ' SER . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.438 HD12 HG22 ' A' ' 101' ' ' THR . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' THR . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -169.41 91.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.92 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.664 HMB2 ' CE2' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.74 111.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 172.19 171.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.0 p -173.99 172.99 3.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 176.84 172.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.03 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -173.76 93.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.891 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.48 -73.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.574 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.891 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 22.6 t30 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.882 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.707 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.063 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.554 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HG11 ' A' ' 49' ' ' VAL . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.793 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 46' ' ' GLY . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.068 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.063 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.554 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.565 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.682 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.897 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.851 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.87 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' O ' ' HB ' ' A' ' 92' ' ' THR . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 92' ' ' THR . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.96 HG21 HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.913 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 66.91 136.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.648 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.69 -64.02 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.17 168.17 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.6 p -164.22 153.28 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 153.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.28 144.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -165.11 108.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.58 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.52 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 22.6 t30 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.507 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.648 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.109 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.004 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.852 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HE2' ' HZ ' ' A' ' 62' ' ' PHE . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' C ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.736 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.078 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.614 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.659 ' HD1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.659 HG11 ' HD1' ' A' ' 43' ' ' HIS . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.078 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 17' ' ' GLN . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.944 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.109 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.482 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.579 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.852 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.528 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.998 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.736 HD13 ' OD2' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.563 ' C ' HG23 ' A' ' 33' ' ' VAL . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.823 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.944 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.4 169.37 23.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.189 . . . . 0.0 109.962 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.659 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 178.15 175.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -174.31 164.41 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 173.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 174.08 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -171.59 -177.89 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -89.42 158.24 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.06 -65.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.129 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 16.8 t30 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.925 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.734 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.129 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' C ' ' A' ' 81' ' ' GLY . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.914 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.113 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.928 ' CE1' HD11 ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.743 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.113 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.925 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.988 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.928 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.914 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.687 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.653 ' N ' HG12 ' A' ' 33' ' ' VAL . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.529 ' HA ' HG22 ' A' ' 92' ' ' THR . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.7 166.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.746 HMC1 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.08 179.86 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -176.0 172.33 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 175.87 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -154.37 -175.08 5.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 11.9 mttt -168.47 114.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 165.84 88.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.226 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.724 HG11 ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -37.3 -54.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.974 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.001 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 20.3 t30 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.94 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.724 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.007 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.093 HG21 HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HD12 ' A' ' 28' ' ' ILE . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' OD2' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.052 HD13 ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.911 ' CE1' HD11 ' A' ' 74' ' ' LEU . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.876 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.945 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.052 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.94 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.024 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.007 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.506 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.542 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.997 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 77' ' ' THR . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' OD2' ' A' ' 35' ' ' ASP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.974 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.658 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.093 HD11 HG21 ' A' ' 28' ' ' ILE . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.93 173.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.714 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.91 105.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.81 169.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 158.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 10.5 t -175.14 172.86 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER 173.7 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.356 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 163.46 101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.917 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.64 -63.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.917 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.017 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.15 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 18.4 t30 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.838 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.15 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 82' ' ' GLU . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.867 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.151 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.766 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' CG ' HD23 ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 46' ' ' GLY . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.151 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.922 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.835 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' NE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.855 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.867 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.543 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.038 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.15 -65.15 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.645 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.31 162.69 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 177.75 164.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 p 178.51 173.7 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.576 1.173 . . . . 0.0 110.003 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 179.82 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -159.41 138.7 11.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 173.57 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.61 -62.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 8' ' ' VAL . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.936 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 8.2 t-20 -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 1.009 ' O ' HG23 ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.009 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.131 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.673 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.947 ' ND1' HG11 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.791 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.947 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.034 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.974 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.518 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.553 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 63' ' ' GLU . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.629 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 74' ' ' LEU . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.701 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.691 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.841 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.585 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.974 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.585 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.639 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.639 ' N ' HD13 ' A' ' 98' ' ' ILE . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.433 HG23 ' C ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.92 156.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.076 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.644 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -152.26 156.95 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -171.94 174.14 4.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.04 156.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -176.12 169.13 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.84 177.16 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 158.4 15.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.814 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -43.08 -67.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.827 HD12 ' OD1' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.215 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 24.3 t30 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.813 HG21 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.839 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.127 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.215 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 HD11 ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.083 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.486 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.822 ' O ' HD13 ' A' ' 50' ' ' LEU . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 25' ' ' THR . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.886 ' CE1' HG21 ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.78 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.886 HG21 ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.083 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.649 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.561 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.519 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.566 ' ND1' HG22 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.836 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 1.019 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.906 HD11 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD23 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.827 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.663 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.663 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.814 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 99' ' ' ILE . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 98' ' ' ILE . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 178.42 173.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.711 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 179.81 138.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -178.38 164.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 p 168.81 147.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 158.55 0.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 171.72 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.51 78.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.23 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.804 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.09 -61.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.804 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.837 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.699 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 1.8 t30 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.778 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.952 HD13 HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.792 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.759 ' ND1' HD22 ' A' ' 29' ' ' LEU . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.086 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.936 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.868 ' CE1' HG21 ' A' ' 49' ' ' VAL . 63.0 t-80 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.086 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.844 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.847 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.723 ' HB3' HMC3 ' A' ' 105' ' ' HEM . 3.5 t-20 -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.792 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.966 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.907 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD1' HG22 ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.586 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.837 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -43.49 132.09 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.844 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.11 83.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -179.99 126.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p 178.15 136.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.058 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.17 148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.4 tttp 178.6 72.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 177.27 106.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -35.26 -69.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.657 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.58 ' O ' HD12 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 87' ' ' ASP . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.625 HD13 HD11 ' A' ' 28' ' ' ILE . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.577 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 17.0 t30 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.039 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.936 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.056 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.986 ' ND1' HG11 ' A' ' 49' ' ' VAL . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.906 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.986 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.685 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.041 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.039 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.499 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.573 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.95 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.776 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 13' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.041 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.654 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 101' ' ' THR . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.85 154.25 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.029 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.677 HMB3 ' CE2' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.68 166.33 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.01 173.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -177.17 172.9 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.26 166.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 110.017 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.9 tttt -175.66 105.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 167.4 85.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -38.45 -62.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' CG ' ' A' ' 86' ' ' ASP . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.88 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.088 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 78.2 m-70 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 17.5 t30 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' O ' HG23 ' A' ' 25' ' ' THR . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.82 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.088 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG22 ' C ' ' A' ' 81' ' ' GLY . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.029 HD13 ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.946 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.807 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.029 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.909 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.543 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.9 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.849 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.74 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.839 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' CG ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.88 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 98' ' ' ILE . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -117.23 -50.5 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.909 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -155.62 52.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -178.62 175.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.21 151.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.98 148.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.065 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -179.51 4.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -111.13 150.29 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.85 -70.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' GLU . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.028 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.582 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 3.6 m-70 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 20.2 t30 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.582 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.053 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 80' ' ' ILE . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.663 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.416 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 1.035 ' CE1' HG11 ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.971 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.035 HG11 ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.007 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.785 HE22 ' CHC' ' A' ' 105' ' ' HEM . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.053 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.003 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.522 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.89 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.89 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' HG3' ' A' ' 32' ' ' LYS . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.911 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.028 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.627 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.908 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.026 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HG3' HG23 ' A' ' 59' ' ' THR . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 103' ' ' ASP . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.644 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 p-10 -148.32 172.26 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.991 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.851 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.16 176.64 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -156.71 162.56 39.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.387 1.055 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -178.36 156.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.21 160.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 174.22 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.354 1.034 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -102.68 132.95 48.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -37.11 -70.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.653 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 16' ' ' ILE . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.797 ' CD2' ' CD2' ' A' ' 26' ' ' TRP . 14.6 m80 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 3.0 t30 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.797 ' CD2' ' CD2' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.988 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.769 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' H ' ' CB ' ' A' ' 59' ' ' THR . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG22 ' C ' ' A' ' 81' ' ' GLY . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.833 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.057 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.037 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.684 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.658 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.057 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.78 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.032 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.854 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.523 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.72 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.833 HG21 ' OD1' ' A' ' 35' ' ' ASP . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.732 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.693 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.032 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.904 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.904 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -91.77 -62.46 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.78 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -176.61 147.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.07 166.5 6.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.66 150.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.75 159.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 176.12 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -158.66 73.14 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -34.33 -63.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.018 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.078 HD13 HD11 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 18.4 t30 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.648 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.97 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.078 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.014 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.49 ' HB3' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.768 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.998 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.001 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.014 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.916 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.916 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.895 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.625 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.001 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.744 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -164.94 164.68 20.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.782 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.52 164.03 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.3 171.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.34 152.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.26 158.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -174.65 88.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -166.8 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.87 -70.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.19 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.9 t30 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.023 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD11 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.692 ' HB2' HD11 ' A' ' 27' ' ' LEU . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.067 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.03 ' CE2' HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.828 ' CE1' HG21 ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.928 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.729 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.928 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.067 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.886 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.69 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.625 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.535 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.03 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.781 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.903 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.988 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.09 -54.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.908 HBB1 HD21 ' A' ' 27' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.63 157.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 172.0 122.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.4 p -177.21 117.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.951 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -178.46 120.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.636 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 pttp -174.32 161.51 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 80.44 93.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.05 -63.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.114 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.435 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.553 ' C ' ' HG1' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' HB2' ' A' ' 36' ' ' LEU . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.916 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.114 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.579 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.104 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.826 ' CD1' HD11 ' A' ' 74' ' ' LEU . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.913 ' CE1' HG21 ' A' ' 49' ' ' VAL . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.989 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.104 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.741 ' CB ' HG23 ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.651 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.602 HG22 ' ND1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.602 ' ND1' HG22 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.935 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' GLU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.009 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.776 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.579 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.009 HD13 HD23 ' A' ' 83' ' ' LEU . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.579 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -59.08 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 110.002 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.92 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.66 92.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.613 1.196 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.54 158.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.2 p -178.18 139.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 24.1 p -178.05 151.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 169.87 164.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 72.92 78.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.98 -60.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.172 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.007 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.643 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.885 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.097 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.023 HG21 HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.847 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.14 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.986 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HG2' HD23 ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.14 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.023 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.097 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.533 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.847 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.928 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.959 ' O ' HG22 ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.007 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.803 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.769 ' HA ' HG22 ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.023 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 89' ' ' SER . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -109.11 -50.61 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.936 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.64 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 136.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -172.9 134.78 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 -179.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.9 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.49 112.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.88 -60.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.945 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.158 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.2 t30 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.864 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.158 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.795 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.882 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.674 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.864 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.934 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.544 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.659 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.576 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.957 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.957 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.59 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CD1' HG22 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.743 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.558 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.578 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.91 172.71 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.721 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.54 176.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.324 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -171.23 177.93 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.7 175.83 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.06 177.61 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -177.42 152.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.376 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 161.79 95.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.79 -70.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.62 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.623 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 4.6 t30 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.8 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.05 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.848 HG21 HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.719 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.875 HG23 HD12 ' A' ' 80' ' ' ILE . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.691 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.457 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 47' ' ' GLU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.972 ' ND1' HG11 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.8 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.883 ' HB3' HD22 ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.972 HG11 ' ND1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.879 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.05 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.719 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.938 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 74' ' ' LEU . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.964 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.746 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.752 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.669 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.064 HD13 HD23 ' A' ' 83' ' ' LEU . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.62 171.52 14.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.714 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.87 55.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 178.87 174.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.32 171.72 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 110.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.57 170.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.0 125.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -178.29 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -38.82 -76.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.225 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.618 ' O ' HD12 ' A' ' 16' ' ' ILE . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.733 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 12' ' ' THR . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 5.3 t30 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.887 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.084 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG12 HD11 ' A' ' 80' ' ' ILE . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.8 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.027 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.438 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' HD1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG11 ' HD1' ' A' ' 43' ' ' HIS . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.027 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.052 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.733 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.617 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 1.056 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.538 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.944 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.084 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.052 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 101' ' ' THR . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 100' ' ' THR . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 103' ' ' ASP . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.457 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.0 t70 -160.46 168.72 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.697 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.68 174.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.43 143.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.58 120.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.905 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -175.56 139.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.891 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.7 171.33 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -130.59 146.21 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -39.5 -69.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.925 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' A' ' 83' ' ' LEU . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.776 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.2 m120 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.977 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 80' ' ' ILE . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE2' HMB2 ' A' ' 105' ' ' HEM . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.64 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.965 ' ND1' HG11 ' A' ' 49' ' ' VAL . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.036 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.801 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.022 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.864 ' HB1' HMC2 ' A' ' 105' ' ' HEM . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.582 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.638 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.477 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.91 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.704 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.977 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.022 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -146.93 89.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.946 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.864 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 177.92 169.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.13 164.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.3 p -179.66 164.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.904 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.94 140.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 35.6 pttt -174.05 171.05 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 68.54 89.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.618 1.198 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.67 -56.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.413 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.216 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 16.6 t30 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.572 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.93 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.942 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.216 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.84 HG12 HD13 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.114 HD13 ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.43 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 25' ' ' THR . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.92 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.914 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.92 HG11 ' CG ' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.114 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.93 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.966 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.942 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.505 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.749 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.45 HH21 ' CD2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.021 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 74' ' ' LEU . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CZ ' HD11 ' A' ' 74' ' ' LEU . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.65 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.478 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.645 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.92 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 83' ' ' LEU . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.621 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.11 HD11 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 102' ' ' ILE . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.96 175.55 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.812 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.86 177.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -153.48 167.2 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.25 169.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.063 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.87 167.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 178.86 3.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -107.12 136.95 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.94 -58.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 13' ' ' LEU . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.776 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.2 m120 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.916 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.888 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.859 HG22 ' C ' ' A' ' 81' ' ' GLY . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.136 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.433 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.742 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.983 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.983 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.136 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.984 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.879 ' HB1' HMC2 ' A' ' 105' ' ' HEM . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.659 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.847 HD12 HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.859 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.647 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.87 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.539 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.064 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.46 170.13 18.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.416 1.072 . . . . 0.0 109.945 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.879 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 170.51 121.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.53 125.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 5' ' ' SER . 87.3 p -179.64 117.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.6 OUTLIER 165.53 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.08 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -176.39 73.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.217 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -172.78 88.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -36.47 -65.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 HD13 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.228 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 18.0 t30 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.952 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.758 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.228 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.73 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.605 ' CD2' HD22 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 28' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.062 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.78 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.912 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.912 HG12 ' O ' ' A' ' 46' ' ' GLY . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.062 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.562 ' ND1' HG22 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.032 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.996 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.634 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.609 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.996 HD13 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.588 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 98' ' ' ILE . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.777 ' N ' HD13 ' A' ' 102' ' ' ILE . 7.1 p-10 -171.31 167.42 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.897 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.865 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.61 168.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 173.47 163.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -178.88 177.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -167.85 174.07 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.19 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 20.1 mttt 170.14 -175.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.34 69.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.77 -63.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.955 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.146 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 21.7 t30 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.865 ' O ' HG23 ' A' ' 25' ' ' THR . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' ' HZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.779 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.146 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.94 HG23 HD12 ' A' ' 80' ' ' ILE . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.079 HD13 ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' HD11 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.94 ' ND1' HG11 ' A' ' 49' ' ' VAL . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.962 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.962 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.079 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.748 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.969 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.87 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.802 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.948 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 77' ' ' THR . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.94 HD12 HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.873 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.067 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.794 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.067 HD13 HD23 ' A' ' 83' ' ' LEU . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.577 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.52 164.99 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.863 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.12 107.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.62 114.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -175.84 150.88 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.525 1.141 . . . . 0.0 110.089 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 125.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -163.68 91.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.356 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 53.51 87.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -31.24 -65.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' N ' HG22 ' A' ' 8' ' ' VAL . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 91' ' ' ILE . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 21.9 t30 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.492 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.708 HG23 ' CA ' ' A' ' 82' ' ' GLU . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.822 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.117 HD13 ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.085 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.838 ' CE1' HG21 ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.001 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 46' ' ' GLY . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.117 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.9 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.557 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.643 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.994 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.994 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.822 HD13 ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.708 ' CA ' HG23 ' A' ' 33' ' ' VAL . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.817 HD11 HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 89' ' ' SER . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.898 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.898 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -51.35 179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.937 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.9 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.01 174.61 10.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -172.28 174.15 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.4 p -172.02 172.52 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.76 176.08 9.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -166.6 119.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.394 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 176.98 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.38 -66.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.011 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.06 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.845 HD22 ' HA3' ' A' ' 55' ' ' GLY . 5.1 m120 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.649 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.785 HD12 ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.06 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.694 ' ND1' HD22 ' A' ' 29' ' ' LEU . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.701 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.128 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.885 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.72 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.128 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.845 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' H ' ' A' ' 30' ' ' HIS . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.2 t-20 -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.713 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.762 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 77' ' ' THR . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.885 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.701 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.042 HD11 HG12 ' A' ' 33' ' ' VAL . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.594 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.011 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.913 ' HB3' HD12 ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.916 HG21 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 98' ' ' ILE . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -49.87 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.926 179.907 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.648 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -107.69 -58.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.94 159.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.35 158.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.091 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -176.34 167.83 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 178.3 118.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 164.99 71.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.6 -64.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.964 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.151 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.774 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.078 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.151 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.856 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.557 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.021 HG12 HD11 ' A' ' 80' ' ' ILE . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.87 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.87 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.961 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.078 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.676 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.021 HD11 HG12 ' A' ' 33' ' ' VAL . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.767 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.019 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.661 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.515 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.019 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -135.67 175.87 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.654 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 176.27 172.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 176.51 171.29 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 176.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.69 173.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.087 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -175.12 -173.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.04 142.67 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -40.84 -72.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.549 ' N ' HG22 ' A' ' 8' ' ' VAL . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.82 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.762 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.663 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 19.9 t30 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.798 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.926 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.792 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.557 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.032 HG12 HD11 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.098 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.926 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.098 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.028 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.926 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.931 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.032 HD11 HG12 ' A' ' 33' ' ' VAL . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.623 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.095 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.611 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.611 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.629 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.704 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.095 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.607 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.607 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 168.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.905 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.852 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -166.48 79.49 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 171.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.86 162.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 0.0 110.046 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p 178.46 153.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -163.66 -179.95 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -91.01 137.1 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -28.98 -62.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.049 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.686 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 2.8 t30 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.932 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.946 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.049 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' CE1' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 80' ' ' ILE . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.136 HD22 HD23 ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.73 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 46' ' ' GLY . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.136 HD23 HD22 ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.932 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.992 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.946 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HE ' ' CD2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.613 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.986 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.755 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.94 176.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.976 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.859 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.97 165.84 26.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -177.65 165.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -179.24 163.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.053 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -177.87 158.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -168.83 -178.33 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -118.2 149.49 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -33.23 -64.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 13.6 t30 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.759 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.968 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 28' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.138 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HMB3 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 1.029 ' ND1' HG11 ' A' ' 49' ' ' VAL . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.942 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.029 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.138 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.759 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 91' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.968 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.776 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.947 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' HD12 ' A' ' 13' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 92' ' ' THR . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.537 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.05 HD13 HD23 ' A' ' 83' ' ' LEU . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 101' ' ' THR . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 100' ' ' THR . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.25 171.94 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.802 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 173.81 158.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.34 138.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' SER . 9.3 t -178.91 138.81 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 4' ' ' SER . 1.2 m 158.56 130.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.86 178.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 64.43 87.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.65 -65.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.948 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.167 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.167 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.764 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 4.9 t-80 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.742 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.965 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.543 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.927 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.948 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.621 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.611 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.965 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.611 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 96' ' ' GLU . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 -47.0 154.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.972 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.801 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.36 172.81 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.26 173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.47 171.53 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 164.1 32.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 16.5 mttt -160.12 167.36 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 71.34 66.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.355 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -31.2 -54.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.222 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.641 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 7.2 t30 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.005 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.907 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.222 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.448 HG23 ' CA ' ' A' ' 82' ' ' GLU . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.025 HD13 ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.001 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.661 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.686 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 1.001 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 50' ' ' LEU . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.025 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.996 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.662 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 1.039 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.039 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.652 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.881 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.881 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.575 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.996 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.575 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -176.24 -63.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.889 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 178.68 134.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -174.66 164.57 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.92 135.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 129.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 179.58 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.86 86.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.87 -66.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.789 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.69 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 28' ' ' ILE . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.832 HD22 ' HA3' ' A' ' 55' ' ' GLY . 3.4 m120 -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.732 ' NE1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.037 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.841 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.728 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 28' ' ' ILE . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.661 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' HD13 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.071 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 74' ' ' LEU . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.744 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.83 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.071 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.757 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.679 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.832 ' HA3' HD22 ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.953 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.037 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.723 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.661 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.732 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.756 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.582 ' HA ' ' CG ' ' A' ' 88' ' ' ARG . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.076 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 176.2 162.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.948 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.757 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.84 170.86 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.22 155.46 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.27 153.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.75 152.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 110.057 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 1.9 tttt -174.25 102.05 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.901 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 176.93 70.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -30.05 -61.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.921 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.247 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.669 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 5.4 t30 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 23' ' ' LYS . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.033 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.247 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 1.04 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.411 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.981 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.949 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.688 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.949 ' HB3' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 46' ' ' GLY . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.045 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.684 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.033 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.648 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.651 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.56 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.74 HG23 ' NH2' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 1.005 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' NH2' HG23 ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.005 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.642 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.547 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.631 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.631 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.857 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 101' ' ' THR . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -179.95 119.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.067 -179.978 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.895 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.35 155.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.12 158.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.568 1.167 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 p 174.36 161.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.65 160.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 174.86 -174.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 -179.936 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 67.88 88.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.52 -55.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HD12 ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.869 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.659 HD22 ' HA3' ' A' ' 55' ' ' GLY . 4.5 m120 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 HG22 ' HB2' ' A' ' 54' ' ' ALA . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD11 ' HAB' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.851 ' ND1' HG11 ' A' ' 49' ' ' VAL . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.851 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.062 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.906 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.544 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.635 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.787 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.787 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.968 ' CD2' HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.826 ' HB3' HD12 ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.062 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 102' ' ' ILE . 24.2 t0 66.16 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.918 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.906 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.57 160.19 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.9 175.5 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.55 170.4 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.962 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 174.06 15.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -169.93 124.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.5 88.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.787 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.84 -69.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.787 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 16' ' ' ILE . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.926 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.597 HD13 HG12 ' A' ' 28' ' ' ILE . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.682 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 1.032 ' CH2' HD13 ' A' ' 80' ' ' ILE . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.915 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.577 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.942 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.115 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.724 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.115 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.832 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.061 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.91 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.577 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.645 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.032 HD13 ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.461 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.926 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.83 ' CB ' HD12 ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.547 ' HA ' HG22 ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.061 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 98' ' ' ILE . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.79 176.45 8.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.973 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.826 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.07 125.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 176.01 179.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.68 169.67 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.601 1.188 . . . . 0.0 109.935 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -165.72 162.63 18.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -176.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.217 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 60.16 75.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -33.39 -52.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 5.8 t30 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.058 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.821 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.611 ' O ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.146 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.63 ' C ' HD13 ' A' ' 50' ' ' LEU . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 HG21 ' A' ' 25' ' ' THR . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.006 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.006 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.146 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.915 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.058 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.654 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.651 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.744 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.95 HG22 ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.96 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.639 ' C ' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.54 ' N ' HD13 ' A' ' 99' ' ' ILE . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.14 170.79 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.707 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.27 -179.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -162.74 160.0 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -172.52 172.11 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.67 173.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 179.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.35 168.52 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -47.97 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 8' ' ' VAL . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 1.018 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.627 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.625 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 4.9 t30 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.984 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 1.132 ' CH2' HD13 ' A' ' 80' ' ' ILE . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.955 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.9 HG12 ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.017 HD13 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 50' ' ' LEU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.844 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.909 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.909 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.017 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.845 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.984 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.921 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.51 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.926 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.132 HD13 ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.9 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.065 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.762 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.602 ' HA ' ' CG ' ' A' ' 88' ' ' ARG . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.602 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.065 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -127.53 141.37 51.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 -179.972 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.845 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.88 169.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 179.54 175.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p 174.46 166.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.932 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.82 163.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -175.17 115.26 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 173.92 80.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.89 -62.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.625 1.203 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.997 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.12 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.556 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.855 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.945 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.962 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.12 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.674 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.09 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.09 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.674 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.553 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CE1' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.61 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.678 ' HA ' HG22 ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.004 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 100' ' ' THR . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 99' ' ' ILE . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 174.18 162.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -180.0 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.731 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -118.21 -60.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -173.19 172.6 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.28 171.33 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.092 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.8 176.37 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -173.51 100.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.11 90.16 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -44.99 -64.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.536 1.148 . . . . 0.0 109.386 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.976 ' CH2' HD13 ' A' ' 80' ' ' ILE . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.722 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 24.5 t60 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.969 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.1 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.498 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.909 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.922 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.769 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.931 ' HB3' HD22 ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.922 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.1 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.835 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.62 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.722 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.73 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.909 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.976 HD13 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 13' ' ' LEU . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.28 -69.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.855 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.46 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 171.81 19.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.51 173.68 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -163.72 175.11 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 109.943 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -166.2 175.69 8.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -87.64 134.98 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -25.19 -58.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.597 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.745 HD11 HG21 ' A' ' 91' ' ' ILE . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.188 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 40' ' ' LEU . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.795 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.188 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 22' ' ' SER . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.896 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.995 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.877 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.712 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -176.88 148.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.902 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 105' ' ' HEM . . . . . 0.69 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.843 HG11 HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.402 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.781 HD13 HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.103 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' H ' ' CB ' ' A' ' 59' ' ' THR . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.101 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.908 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.757 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.101 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.02 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.983 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.55 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.103 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.782 HG11 ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.782 ' CE1' HG11 ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.902 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.499 HH21 ' CD2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.843 HD12 HG11 ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.951 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.75 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.756 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.02 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.756 HG22 ' HA ' ' A' ' 89' ' ' SER . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.438 HD12 HG22 ' A' ' 101' ' ' THR . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 101' ' ' THR . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.891 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.574 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.891 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.589 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.2 t-20 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.882 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.707 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.063 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.554 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HG11 ' A' ' 49' ' ' VAL . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.793 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 46' ' ' GLY . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.068 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.063 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.554 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.682 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.897 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.851 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.87 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' O ' ' HB ' ' A' ' 92' ' ' THR . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 92' ' ' THR . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.96 HG21 HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.913 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.597 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.4 t-20 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.507 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.648 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.109 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.004 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.852 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HE2' ' HZ ' ' A' ' 62' ' ' PHE . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' C ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.736 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.078 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.614 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.605 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.078 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 17' ' ' GLN . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.944 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.109 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.482 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.852 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.998 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.736 HD13 ' OD2' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.563 ' C ' HG23 ' A' ' 33' ' ' VAL . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.823 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.944 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.129 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.8 t-20 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.925 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.734 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.129 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' C ' ' A' ' 81' ' ' GLY . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.914 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.113 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.928 ' CE1' HD11 ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.743 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.113 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.925 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.988 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.928 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.914 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.687 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.653 ' N ' HG12 ' A' ' 33' ' ' VAL . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.529 ' HA ' HG22 ' A' ' 92' ' ' THR . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.724 HG11 ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.974 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.001 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.549 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.94 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.724 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.007 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.093 HG21 HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HD12 ' A' ' 28' ' ' ILE . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' OD2' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.052 HD13 ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.911 ' CE1' HD11 ' A' ' 74' ' ' LEU . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.876 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.945 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.052 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.94 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.024 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.007 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.506 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.997 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 77' ' ' THR . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' OD2' ' A' ' 35' ' ' ASP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.974 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.658 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.093 HD11 HG21 ' A' ' 28' ' ' ILE . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.917 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.644 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.917 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.017 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.15 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.573 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.0 t-20 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.838 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.15 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 82' ' ' GLU . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.867 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.151 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.766 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' CG ' HD23 ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 46' ' ' GLY . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.151 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.922 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.835 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' NE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.855 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.867 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.543 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.038 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 8' ' ' VAL . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.936 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 1.009 ' O ' HG23 ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.009 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.131 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.673 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.947 ' ND1' HG11 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.791 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.947 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.034 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.974 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.518 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.629 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 74' ' ' LEU . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.701 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.691 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.841 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.585 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.974 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.585 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.639 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.639 ' N ' HD13 ' A' ' 98' ' ' ILE . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.433 HG23 ' C ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.814 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.827 HD12 ' OD1' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.215 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.604 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.1 t-20 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.813 HG21 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.839 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.127 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.215 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 HD11 ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.083 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.486 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.822 ' O ' HD13 ' A' ' 50' ' ' LEU . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 25' ' ' THR . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.886 ' CE1' HG21 ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.78 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.886 HG21 ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.083 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.649 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.561 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.422 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.566 ' ND1' HG22 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.836 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 1.019 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.906 HD11 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.602 HD23 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.827 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.663 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.663 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.814 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 99' ' ' ILE . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 98' ' ' ILE . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.804 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.804 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.837 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.699 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.778 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.952 HD13 HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.792 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.759 ' ND1' HD22 ' A' ' 29' ' ' LEU . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.086 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.936 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.868 ' CE1' HG21 ' A' ' 49' ' ' VAL . 63.0 t-80 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.086 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.847 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.607 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.792 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.966 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.907 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD1' HG22 ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.586 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.837 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.657 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.58 ' O ' HD12 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 87' ' ' ASP . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.625 HD13 HD11 ' A' ' 28' ' ' ILE . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.605 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.3 t-20 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.039 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.936 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.056 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.986 ' ND1' HG11 ' A' ' 49' ' ' VAL . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.906 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.986 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.685 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.041 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.039 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.499 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.95 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.776 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 13' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.041 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.654 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 101' ' ' THR . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' CG ' ' A' ' 86' ' ' ASP . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.88 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.088 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 33.0 m80 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.612 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.762 ' O ' HG23 ' A' ' 25' ' ' THR . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.82 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.088 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG22 ' C ' ' A' ' 81' ' ' GLY . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.029 HD13 ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.946 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.807 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.029 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.612 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.779 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.543 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 65' ' ' VAL . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.9 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.849 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.74 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.839 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' CG ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.88 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 98' ' ' ILE . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' GLU . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.028 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.722 ' CD2' ' CD1' ' A' ' 26' ' ' TRP . 3.3 m80 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.527 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.69 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.053 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.722 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.663 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.416 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 1.035 ' CE1' HG11 ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.971 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.035 HG11 ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.007 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 50' ' ' LEU . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.053 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.003 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.89 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.89 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' HG3' ' A' ' 32' ' ' LYS . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.911 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.028 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.627 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.908 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.026 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HG3' HG23 ' A' ' 59' ' ' THR . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 103' ' ' ASP . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.644 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.653 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 16' ' ' ILE . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.841 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 11.8 m-70 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.841 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.988 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.634 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' H ' ' CB ' ' A' ' 59' ' ' THR . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG22 ' C ' ' A' ' 81' ' ' GLY . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.833 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.057 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.037 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.657 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.658 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.057 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.649 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.032 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.854 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.72 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.833 HG21 ' OD1' ' A' ' 35' ' ' ASP . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.732 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.693 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.032 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.904 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.904 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.562 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.018 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.078 HD13 HD11 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.57 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.2 t-20 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.648 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.97 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.078 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.014 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.49 ' HB3' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.768 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.998 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.001 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.014 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.916 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.916 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.895 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.625 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.001 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.744 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.023 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD11 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.692 ' HB2' HD11 ' A' ' 27' ' ' LEU . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.067 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.03 ' CE2' HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.828 ' CE1' HG21 ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.928 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.729 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.928 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.067 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.886 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.69 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.625 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.03 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.781 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.903 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.528 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.988 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.114 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' HD21 ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.585 ' ND2' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.553 ' C ' ' HG1' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' HB2' ' A' ' 36' ' ' LEU . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.916 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.114 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.579 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.104 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.826 ' CD1' HD11 ' A' ' 74' ' ' LEU . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.913 ' CE1' HG21 ' A' ' 49' ' ' VAL . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.989 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.104 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.741 ' CB ' HG23 ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.916 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.651 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.602 HG22 ' ND1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.602 ' ND1' HG22 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.935 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' GLU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.009 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.776 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.579 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.009 HD13 HD23 ' A' ' 83' ' ' LEU . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.579 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.007 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.643 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.885 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.097 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.023 HG21 HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.847 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.14 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.684 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.986 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HG2' HD23 ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.14 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.023 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.097 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.847 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.928 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.959 ' O ' HG22 ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.007 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.803 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.769 ' HA ' HG22 ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 89' ' ' SER . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.945 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.158 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 6.3 t-20 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.864 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.158 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.795 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.882 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.864 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.934 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.544 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.659 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.957 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.957 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.59 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CD1' HG22 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.743 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.558 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.578 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.62 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.8 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.05 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.848 HG21 HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.719 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.875 HG23 HD12 ' A' ' 80' ' ' ILE . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.691 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.457 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 47' ' ' GLU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.972 ' ND1' HG11 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.8 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.883 ' HB3' HD22 ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.972 HG11 ' ND1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.879 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.05 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.719 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.938 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 74' ' ' LEU . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.964 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.746 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.752 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.669 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.064 HD13 HD23 ' A' ' 83' ' ' LEU . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.618 ' O ' HD12 ' A' ' 16' ' ' ILE . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.733 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 12' ' ' THR . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.887 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.084 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG12 HD11 ' A' ' 80' ' ' ILE . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.8 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.027 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.438 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.606 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.027 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.052 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.733 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.617 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 1.056 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.538 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.944 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.084 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.052 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 101' ' ' THR . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 100' ' ' THR . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 103' ' ' ASP . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.457 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.0 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' A' ' 83' ' ' LEU . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 2.1 m-80 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.977 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 80' ' ' ILE . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.64 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.965 ' ND1' HG11 ' A' ' 49' ' ' VAL . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.036 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.022 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.775 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.582 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.638 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.477 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.91 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.704 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.977 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.022 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.413 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.216 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.572 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.93 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.942 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.216 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.84 HG12 HD13 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.114 HD13 ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.43 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 25' ' ' THR . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.92 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.914 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.92 HG11 ' CG ' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.114 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.93 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.966 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.942 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.505 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.45 HH21 ' CD2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.021 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 74' ' ' LEU . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CZ ' HD11 ' A' ' 74' ' ' LEU . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.65 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.478 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.645 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.92 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 83' ' ' LEU . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.621 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.11 HD11 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 102' ' ' ILE . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 13' ' ' LEU . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 17' ' ' GLN . 1.9 m-80 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.916 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.888 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.859 HG22 ' C ' ' A' ' 81' ' ' GLY . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.136 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.433 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.742 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.983 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.983 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.136 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.984 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.859 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.659 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.847 HD12 HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.859 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.647 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.87 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.539 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.064 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 HD13 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.228 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.583 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.952 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.758 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.228 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.697 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.605 ' CD2' HD22 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 28' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.062 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.78 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.912 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.912 HG12 ' O ' ' A' ' 46' ' ' GLY . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.062 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.562 ' ND1' HG22 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.032 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.996 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.996 HD13 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.588 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 98' ' ' ILE . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.777 ' N ' HD13 ' A' ' 102' ' ' ILE . 7.1 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.955 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.146 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.644 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.1 t-20 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.865 ' O ' HG23 ' A' ' 25' ' ' THR . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' ' HZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.779 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.146 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.94 HG23 HD12 ' A' ' 80' ' ' ILE . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.079 HD13 ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' HD11 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.94 ' ND1' HG11 ' A' ' 49' ' ' VAL . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.962 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.962 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.079 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.695 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.644 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.415 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.969 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.87 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.802 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.948 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 77' ' ' THR . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.94 HD12 HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.873 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.067 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.794 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.067 HD13 HD23 ' A' ' 83' ' ' LEU . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.577 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' N ' HG22 ' A' ' 8' ' ' VAL . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 91' ' ' ILE . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.552 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.3 t-20 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.492 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.708 HG23 ' CA ' ' A' ' 82' ' ' GLU . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.822 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.117 HD13 ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.085 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.838 ' CE1' HG21 ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.001 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 46' ' ' GLY . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.117 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.994 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.994 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.822 HD13 ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.708 ' CA ' HG23 ' A' ' 33' ' ' VAL . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.817 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.817 HD11 HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 89' ' ' SER . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.898 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.898 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.011 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.06 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.502 ' OD1' ' HA3' ' A' ' 55' ' ' GLY . 2.2 m-80 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.479 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.649 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.785 HD12 ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.06 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.694 ' ND1' HD22 ' A' ' 29' ' ' LEU . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.701 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.128 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.885 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.72 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.128 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' H ' ' A' ' 30' ' ' HIS . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.713 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.762 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 77' ' ' THR . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.885 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.701 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.042 HD11 HG12 ' A' ' 33' ' ' VAL . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.594 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.011 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.913 ' HB3' HD12 ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.916 HG21 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 98' ' ' ILE . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.964 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.151 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.774 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.078 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.151 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.856 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.513 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.557 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.021 HG12 HD11 ' A' ' 80' ' ' ILE . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.87 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.87 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.961 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.078 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.676 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.021 HD11 HG12 ' A' ' 33' ' ' VAL . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.767 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.019 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.661 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.515 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.019 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.549 ' N ' HG22 ' A' ' 8' ' ' VAL . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.82 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.762 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.663 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.632 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.4 t-20 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.798 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.926 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.792 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.032 HG12 HD11 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.098 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.926 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.098 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.028 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.926 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.931 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.032 HD11 HG12 ' A' ' 33' ' ' VAL . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.623 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.095 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.625 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.629 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.704 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.095 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.607 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.607 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.049 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.686 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.932 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.946 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.049 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' CE1' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 80' ' ' ILE . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.136 HD22 HD23 ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.73 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 46' ' ' GLY . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.136 HD23 HD22 ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.932 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.992 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.946 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HE ' ' CD2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.613 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.986 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.755 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.759 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.968 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 28' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.138 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 1.029 ' ND1' HG11 ' A' ' 49' ' ' VAL . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.942 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.029 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.138 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.759 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 91' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.968 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.514 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.947 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' HD12 ' A' ' 13' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 92' ' ' THR . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.537 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.05 HD13 HD23 ' A' ' 83' ' ' LEU . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 101' ' ' THR . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 100' ' ' THR . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.948 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.167 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.167 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 4.9 t-80 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.742 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.576 ' HA3' ' ND2' ' A' ' 20' ' ' ASN . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.965 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.927 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.948 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.621 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.611 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.965 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.611 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 96' ' ' GLU . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.222 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.641 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.2 t-20 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.005 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.907 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.222 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG23 ' CA ' ' A' ' 82' ' ' GLU . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.025 HD13 ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.001 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.661 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.686 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 1.001 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 50' ' ' LEU . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.025 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.996 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.662 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 1.039 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.039 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.652 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.881 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.881 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.575 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.996 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.575 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.789 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.69 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 28' ' ' ILE . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' C ' HD21 ' A' ' 20' ' ' ASN . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.732 ' NE1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.037 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.841 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 28' ' ' ILE . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.661 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' HD13 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.071 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 74' ' ' LEU . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.744 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.83 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.569 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.071 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA3' ' OD1' ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.953 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.037 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.723 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.404 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.661 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.732 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.756 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.614 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.076 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.921 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.247 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.669 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 23' ' ' LYS . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.033 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.247 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 1.04 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.411 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.981 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.949 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.688 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.949 ' HB3' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 46' ' ' GLY . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.045 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.033 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.648 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.793 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.651 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.74 HG23 ' NH2' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 1.005 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' NH2' HG23 ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.005 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.642 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.547 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.631 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.631 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.857 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 101' ' ' THR . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HD12 ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.869 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.481 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 20' ' ' ASN . 1.7 m-80 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.671 HG22 ' HB2' ' A' ' 54' ' ' ALA . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.851 ' ND1' HG11 ' A' ' 49' ' ' VAL . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.851 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.062 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.635 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 62' ' ' PHE . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.787 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.787 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.968 ' CD2' HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.826 ' HB3' HD12 ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.062 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 102' ' ' ILE . 24.2 t0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.787 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.787 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 16' ' ' ILE . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.926 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.597 HD13 HG12 ' A' ' 28' ' ' ILE . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.682 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 1.032 ' CH2' HD13 ' A' ' 80' ' ' ILE . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.915 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.577 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.942 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.115 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.724 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.115 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.832 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.061 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.91 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.577 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.525 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.032 HD13 ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.461 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.926 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.83 ' CB ' HD12 ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.547 ' HA ' HG22 ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.061 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 98' ' ' ILE . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.058 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.821 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.611 ' O ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.146 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.63 ' C ' HD13 ' A' ' 50' ' ' LEU . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 HG21 ' A' ' 25' ' ' THR . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.006 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.006 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.146 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.915 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.058 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.744 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.95 HG22 ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.96 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.639 HD13 ' C ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.54 ' N ' HD13 ' A' ' 99' ' ' ILE . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 8' ' ' VAL . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.665 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 1.018 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.627 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.625 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.984 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 1.132 ' CH2' HD13 ' A' ' 80' ' ' ILE . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.955 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.9 HG12 ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.017 HD13 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 50' ' ' LEU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.844 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.909 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.909 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.017 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.984 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.921 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.51 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.926 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.132 HD13 ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.9 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.065 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.762 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.602 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.065 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.694 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.645 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.997 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.12 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.697 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.855 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.945 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.962 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.12 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.674 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.09 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.09 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA3' ' ND2' ' A' ' 20' ' ' ASN . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.674 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.553 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.645 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.636 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.678 ' HA ' HG22 ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.004 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 100' ' ' THR . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 99' ' ' ILE . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.976 ' CH2' HD13 ' A' ' 80' ' ' ILE . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.722 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 59.6 t-80 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.969 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.1 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.498 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.909 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.922 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.769 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.931 ' HB3' HD22 ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.922 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.1 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.835 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.789 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.62 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.722 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.714 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.909 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.976 HD13 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 13' ' ' LEU . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.597 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.745 HD11 HG21 ' A' ' 91' ' ' ILE . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.188 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 40' ' ' LEU . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.795 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.188 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 22' ' ' SER . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.812 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.995 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.877 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.712 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -166.97 77.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.52 166.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -172.6 153.87 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -177.88 142.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 19.1 pttt -172.44 177.74 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 69.26 93.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.843 HG11 HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -37.53 -57.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER 75.62 -60.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.76 122.85 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.04 167.46 16.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.402 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 47.9 p -105.87 154.47 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.2 mt -46.94 -38.29 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -51.32 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -50.82 -40.78 56.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -76.03 -32.82 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tm0? -65.29 -33.57 76.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.664 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.4 m-70 -94.31 91.48 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -141.54 19.95 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -103.57 156.27 17.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -16.56 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -97.19 -31.02 12.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.561 ' CB ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.51 58.26 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.082 . . . . 0.0 109.962 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -81.17 92.06 6.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.664 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 46.4 m0 -114.22 137.76 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.034 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.91 169.64 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.781 HD13 HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -120.08 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.103 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -118.41 126.97 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' H ' ' CB ' ' A' ' 59' ' ' THR . 42.1 m80 68.9 -60.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 31.6 p90 -176.6 1.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mttt -109.1 169.36 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.5 t -109.14 126.96 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -118.94 149.36 41.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -91.0 98.49 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.101 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -63.64 -30.5 71.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -56.27 -22.94 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -92.47 -17.38 24.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.908 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 7.4 t80 -114.86 13.01 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -60.51 -70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LEU . 59.6 mt-10 -36.83 -64.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -51.18 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 22.5 t-80 84.57 136.33 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.05 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.06 -32.9 20.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.432 1.082 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.757 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.11 -162.4 21.2 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 40' ' ' LEU . 4.5 mt-10 -85.23 -40.28 16.81 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 0.789 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.1 tt0 -57.5 -47.48 81.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 14.8 p -38.7 -31.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.101 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -92.3 -38.86 11.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.3 tmm_? -67.0 -40.31 87.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -12.65 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.631 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.7 pt20 -109.75 -21.64 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -67.04 130.12 42.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.93 14.82 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.01 -172.18 36.46 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.02 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 111.14 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.983 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -89.45 -17.03 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.55 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -47.35 -52.46 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.56 -26.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.103 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.34 -16.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.96 -35.34 37.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -72.13 -50.46 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.782 HG11 ' CE1' ' A' ' 67' ' ' HIS . 2.9 p -51.56 -18.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.76 73.52 0.4 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.52 1.138 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.782 ' CE1' HG11 ' A' ' 65' ' ' VAL . 52.1 m80 -68.86 -178.69 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -105.55 149.66 26.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -49.1 -22.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -77.2 -47.69 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.902 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.0 -40.73 81.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.499 HH21 ' CD2' ' A' ' 30' ' ' HIS . 51.3 mtp180 -66.8 -45.6 77.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.66 -37.24 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -62.11 -41.95 98.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -55.87 -25.8 44.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.033 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -10.72 19.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.4 t -89.56 -18.13 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 10.2 m-85 -104.16 -18.81 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.706 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -45.96 116.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.843 HD12 HG11 ' A' ' 8' ' ' VAL . 8.5 pt -106.24 -28.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -165.83 -150.52 6.32 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.41 163.01 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.951 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -68.88 124.14 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.655 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.76 -175.34 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.618 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.92 7.6 2.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.82 -24.37 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.75 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.5 m-20 -163.87 40.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -74.17 -67.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.756 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.4 p -65.1 -1.91 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.9 mmtt -87.66 -24.86 23.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 109.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.02 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -131.69 -47.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.756 HG22 ' HA ' ' A' ' 89' ' ' SER . 4.8 t -33.36 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt 67.04 108.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 154.64 42.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 p -179.03 146.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -166.37 132.64 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.3 p -140.06 102.4 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -128.76 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.438 HD12 HG22 ' A' ' 101' ' ' THR . 1.9 pp -90.39 120.48 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -100.23 114.52 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 101' ' ' THR . 6.7 t -159.15 75.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -118.06 -178.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -169.41 91.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.92 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.664 HMB2 ' CE2' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.74 111.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 172.19 171.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.0 p -173.99 172.99 3.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 176.84 172.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.03 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -173.76 93.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.891 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.48 -73.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.574 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 78.74 -53.38 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.34 113.56 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.891 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -123.98 168.51 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 p -105.35 146.47 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -41.41 -37.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -63.15 -50.0 72.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -54.1 -37.68 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.93 -33.0 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 1.4 tm0? -65.48 -32.99 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 22.5 mmmt -69.95 -30.65 68.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -95.5 91.65 6.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.582 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.589 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.2 t-20 -147.74 30.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -107.71 165.02 11.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 t -62.23 -12.47 20.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -109.39 -18.04 13.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.392 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -137.0 77.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.882 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -102.02 98.54 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.707 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -117.7 144.91 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.606 1.191 . . . . 0.0 108.055 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.063 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.01 169.89 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.33 136.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.595 1.184 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -131.0 117.79 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.554 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.6 t-80 73.41 -51.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 177.2 -9.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 111.049 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.89 172.24 7.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 80' ' ' ILE . 17.6 t -112.75 127.11 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.533 1.146 . . . . 0.0 109.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -116.34 149.87 38.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 22.4 t0 -89.61 92.72 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.62 -35.06 73.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -51.26 -31.13 19.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.39 1.056 . . . . 0.0 110.377 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 1.5 tttt -82.0 -32.4 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 21.5 t80 -102.27 27.84 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 6.0 tp -70.43 -71.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.1 mt-10 -36.96 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.06 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.3 mp0 -48.72 177.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HG11 ' A' ' 49' ' ' VAL . 29.0 t-80 88.87 134.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.07 -40.58 13.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.393 1.058 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.793 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.44 -166.46 24.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp0 -82.41 -44.13 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -49.02 -51.27 31.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 46' ' ' GLY . 14.5 p -39.46 -26.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 109.352 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.068 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -102.45 -42.4 5.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.18 -46.43 80.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -58.56 -21.56 53.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.6 pt20 -98.7 -27.81 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -55.29 132.2 47.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.67 16.2 4.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.58 -170.7 36.59 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.2 130.06 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.063 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.71 -19.29 12.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.554 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.52 -45.19 18.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -35.96 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.565 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -93.16 -51.92 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.682 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.92 -22.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.94 -37.62 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.209 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -26.72 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -88.9 3.38 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.27 81.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 41.9 m80 -75.0 -179.84 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.628 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -103.9 154.24 19.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.37 1.044 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -57.23 -22.41 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.17 -47.14 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.08 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.76 -38.96 87.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.897 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.83 -40.29 88.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.648 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.27 -26.9 68.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.596 1.185 . . . . 0.0 110.004 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -20.4 57.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.5 t -88.67 -14.07 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.455 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 17.4 m-85 -105.13 -9.14 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.649 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.61 125.19 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.851 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pp -107.88 -21.67 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -175.9 -152.28 9.41 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -150.57 162.63 40.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.42 118.84 16.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.608 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.93 -176.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.608 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.94 12.6 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.56 -27.57 45.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.87 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.0 m-20 -179.07 51.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' O ' ' HB ' ' A' ' 92' ' ' THR . 29.4 ptt180 -94.69 -53.43 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 92' ' ' THR . 83.0 p -74.14 2.25 9.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -2.3 33.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.96 HG21 HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -140.68 -43.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 11.2 t -30.72 -46.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -140.63 117.04 7.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 p -176.44 123.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.97 145.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.9 p -164.49 146.17 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -165.82 135.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.913 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -133.69 128.84 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -122.17 161.36 23.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.4 m -145.69 129.11 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.06 171.71 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 66.91 136.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.648 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.69 -64.02 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.17 168.17 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.6 p -164.22 153.28 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 153.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.28 144.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -165.11 108.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.58 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 3.1 tttt 77.56 -55.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 115.64 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -126.21 171.03 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -105.86 146.65 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -42.37 -37.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.68 -50.63 70.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 3.9 mt-10 -53.83 -39.61 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -74.3 -31.13 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.188 . . . . 0.0 109.379 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -67.55 -32.57 73.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 16.5 mmmt -69.73 -30.18 67.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 3.7 m-70 -95.42 95.59 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.557 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.597 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.4 t-20 -144.45 24.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -106.19 158.41 16.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -58.63 -14.95 9.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.05 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -103.92 -23.37 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 109.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.507 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.97 63.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 110.042 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.78 102.77 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.648 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 11.5 m0 -119.42 142.68 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.109 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.83 166.97 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.004 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -111.55 136.1 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.852 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.85 118.47 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HE2' ' HZ ' ' A' ' 62' ' ' PHE . 5.7 m80 71.89 -57.79 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.615 ' CG ' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.66 0.24 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 16.6 mmtt -107.07 174.5 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' C ' ' A' ' 82' ' ' GLU . 21.2 t -119.18 123.03 70.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 5.3 m-85 -113.96 148.81 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.736 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.75 86.36 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.078 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -48.2 -30.06 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -43.9 -37.87 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.614 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 4.5 mttt -82.61 -34.57 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 78.5 m-85 -66.81 -26.75 67.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 2.9 mp -43.97 -62.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.44 -14.97 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' PHE . 1.4 tp10 -89.73 -154.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.659 ' HD1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 68.38 171.45 0.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.599 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.07 54.15 3.58 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.461 1.769 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.01 62.02 3.74 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.3 138.12 5.11 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mp0 -109.04 -52.94 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -51.69 -43.27 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.659 HG11 ' HD1' ' A' ' 43' ' ' HIS . 11.7 p -40.75 -26.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.078 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mt -104.53 -33.84 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.227 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.15 -14.54 55.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.3 pt20 -108.17 -19.52 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.06 133.62 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 17' ' ' GLN . . . 121.72 17.51 3.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.473 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 157.74 -173.25 35.08 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.944 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.82 128.59 36.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.109 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.73 -17.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.482 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -46.9 -45.95 20.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.167 . . . . 0.0 110.419 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.96 -33.45 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.238 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.579 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -96.18 -52.36 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.852 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.87 -17.83 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.29 -35.62 27.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -30.31 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.35 1.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.47 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.386 1.053 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.528 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 64.9 m80 -77.55 -177.15 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.624 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -105.63 154.04 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -54.74 -21.16 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.82 -47.14 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.998 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.62 -45.11 85.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.66 -44.52 90.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.38 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.89 -41.69 78.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -13.5 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -90.4 -24.26 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.2 m-85 -105.83 4.1 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -60.35 132.31 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.736 HD13 ' OD2' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -105.99 -33.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.55 -146.12 5.03 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.563 ' C ' HG23 ' A' ' 33' ' ' VAL . 4.3 mt-10 -151.47 164.49 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.47 118.23 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.94 -177.23 0.25 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.96 9.66 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -25.01 53.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.823 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.6 m-20 -179.31 50.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 31.2 ptt180 -93.86 -51.63 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 8.2 t -72.36 -4.04 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -92.07 -8.88 44.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.944 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.3 pt -129.67 -39.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.515 ' C ' ' O ' ' A' ' 91' ' ' ILE . 10.7 t -28.88 -52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.8 OUTLIER 76.08 140.22 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -74.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.7 p -167.34 173.89 8.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -151.28 134.52 16.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.03 125.49 48.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -119.9 167.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 pp -100.61 159.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -134.19 165.1 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -145.18 158.43 43.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -138.45 162.56 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.4 169.37 23.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.189 . . . . 0.0 109.962 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.659 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 178.15 175.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -174.31 164.41 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 173.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 174.08 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -171.59 -177.89 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -89.42 158.24 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.06 -65.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 76.19 -56.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.89 114.03 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -125.03 168.83 12.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.41 1.069 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 33.5 p -106.72 150.0 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.468 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.6 mt -43.68 -38.07 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.9 -49.46 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.77 -37.12 63.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.129 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -75.82 -37.72 35.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -61.59 -32.38 72.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 1.9 mmmm -70.53 -30.25 66.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m-70 -94.07 90.08 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.8 t-20 -140.46 21.65 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -107.46 162.93 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -64.57 -10.91 29.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -100.55 -21.64 15.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -145.85 69.54 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 1.184 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.925 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -93.01 96.35 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.347 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.734 ' CZ3' HD12 ' A' ' 80' ' ' ILE . 17.2 m0 -113.24 147.72 36.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.08 173.09 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.129 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.55 136.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.626 1.204 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -136.54 115.73 12.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.415 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 31' ' ' TYR . 2.0 t-80 75.67 -50.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 173.34 -3.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 6.4 mttp -108.95 164.59 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' C ' ' A' ' 81' ' ' GLY . 7.5 p -106.33 125.81 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.9 m-85 -113.31 150.71 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.914 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.99 88.47 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.113 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.2 mt -54.78 -31.66 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.214 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -23.39 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 18.5 mttt -90.66 -30.49 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.928 ' CE1' HD11 ' A' ' 74' ' ' LEU . 10.1 t80 -101.54 15.17 29.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.6 mt -63.65 -60.6 3.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -64.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.4 mt-10 -52.3 -174.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 20.9 t-80 85.07 135.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.068 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -75.0 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.75 -30.88 36.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.41 1.069 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.57 -162.66 17.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.743 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.9 mt-10 -83.26 -44.84 14.52 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -50.13 -50.65 48.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.9 p -38.03 -30.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.113 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -96.22 -39.52 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -64.71 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -60.79 -20.72 62.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -102.04 -22.29 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.925 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -61.03 130.5 46.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 115.57 13.86 8.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.67 -179.02 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.988 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.67 125.73 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -99.86 -17.0 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -48.09 -55.74 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.0 -28.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.49 -55.49 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -44.65 -23.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -77.16 -47.91 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -26.86 67.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.207 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -94.18 4.21 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 30.51 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.4 m-70 -64.34 171.22 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.791 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -94.35 155.68 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 p -53.24 -32.16 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.59 -51.93 60.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.91 -48.73 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -62.43 -33.51 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -69.7 -50.0 47.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.928 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -53.52 -37.88 63.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.6 -36.14 81.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.064 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -19.02 33.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 p -89.36 -19.02 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 13.3 m-85 -102.68 -4.72 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -55.53 129.87 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.389 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.914 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.3 pt -107.02 -31.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.201 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.687 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -168.57 -147.73 5.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.653 ' N ' HG12 ' A' ' 33' ' ' VAL . 2.2 mt-10 -152.5 158.43 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.81 118.74 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.676 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.99 -174.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.676 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.99 7.39 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.78 -23.87 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -161.41 43.29 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.368 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.16 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.529 ' HA ' HG22 ' A' ' 92' ' ' THR . 58.3 p -62.5 -5.54 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.881 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -83.64 -31.46 26.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -130.47 -50.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.623 ' N ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -30.63 143.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 64.31 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.05 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -168.03 167.3 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -118.82 170.93 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.7 p -108.79 169.86 8.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.13 175.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -136.01 146.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -114.95 160.25 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 m -145.54 127.39 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.44 -32.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.7 166.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.746 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.08 179.86 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -176.0 172.33 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 175.87 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -154.37 -175.08 5.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 11.9 mttt -168.47 114.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 165.84 88.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.226 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.724 HG11 ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -37.3 -54.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER 76.43 -58.52 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.58 116.17 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.89 169.37 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.1 p -105.42 147.73 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.974 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.0 mt -41.97 -37.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.11 . . . . 0.0 109.405 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.9 mt-10 -65.0 -47.48 77.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -56.35 -38.02 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.001 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -73.69 -33.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.04 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 23.2 mmmt -70.0 -32.09 70.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 10.5 m-70 -91.72 89.21 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.549 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -139.02 21.99 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' THR . 80.1 m-20 -107.43 162.13 14.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.4 p -66.6 -8.07 24.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.7 -17.85 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -155.75 74.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.926 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.94 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -104.55 96.59 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.724 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 18.2 m0 -105.1 141.71 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.007 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.63 167.56 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.093 HG21 HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -108.16 132.47 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -132.77 112.41 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 53.5 t-80 75.28 -35.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.3 t80 159.1 -12.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -97.51 164.55 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HD12 ' A' ' 28' ' ' ILE . 68.8 t -108.34 129.67 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.677 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -121.23 157.31 30.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' OD2' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -96.96 91.75 5.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.052 HD13 ' HB3' ' A' ' 50' ' ' LEU . 16.9 mt -60.24 -26.17 66.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -23.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.27 -39.84 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.911 ' CE1' HD11 ' A' ' 74' ' ' LEU . 5.1 m-85 -69.94 -7.47 40.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -74.67 13.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.61 -57.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.1 mm-40 -105.55 127.66 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.876 ' ND1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 173.75 124.32 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -3.14 13.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.58 -42.61 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.423 1.077 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.945 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 125.21 151.25 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -41.16 -44.04 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -50.77 -47.34 59.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.8 p -41.66 -27.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.052 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -109.53 -42.28 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -48.07 79.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.4 -23.27 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.2 pt20 -96.47 -29.28 14.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.94 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -53.17 129.21 30.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.14 17.85 4.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.47 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.98 -173.75 37.49 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.024 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.87 131.39 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.007 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.67 -18.33 11.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.506 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.76 -46.24 20.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.52 -33.94 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.542 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -94.24 -52.31 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.73 -20.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.75 -34.26 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -68.4 -26.58 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -87.53 4.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.23 78.8 0.04 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.434 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 51.2 m80 -73.0 -178.98 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.544 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -105.72 150.63 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.412 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 1.2 m -54.11 -21.51 8.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.75 -47.84 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.997 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.18 -45.31 79.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 69' ' ' THR . 22.3 mtm105 -64.75 -46.03 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 4.0 mt-10 -63.28 -36.81 84.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -63.87 -41.05 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.9 -20.79 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -60.78 -19.85 60.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -89.92 -14.39 34.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 77' ' ' THR . 11.5 m-85 -102.8 -11.87 18.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.677 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -54.33 122.04 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' OD2' ' A' ' 35' ' ' ASP . 1.3 pt -107.13 -27.61 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.58 -151.36 7.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -151.9 160.89 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.974 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -74.18 120.12 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.679 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -67.67 -175.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.64 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.679 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 9.89 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.11 -26.27 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.658 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.9 m-20 178.94 52.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 25.8 ptt180 -93.52 -53.34 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.358 1.036 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 6.6 t -72.11 -3.65 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -92.48 -6.57 49.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.093 HD11 HG21 ' A' ' 28' ' ' ILE . 1.6 pt -132.93 -42.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.9 t -30.72 143.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.456 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -137.2 95.55 11.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.8 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.01 158.35 3.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.79 167.22 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.226 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 143.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.4 tt -142.98 157.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.4 mm -93.75 125.66 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 t -88.15 170.89 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -87.52 153.53 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -125.49 172.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.93 173.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.714 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.91 105.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.81 169.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 158.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 10.5 t -175.14 172.86 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER 173.7 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.356 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 163.46 101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.917 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.64 -63.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.3 mttm 76.84 -57.97 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.24 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.644 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.38 112.25 8.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.917 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -125.67 172.21 9.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 p -104.48 150.95 24.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.017 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.6 mt -44.71 -37.69 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.43 -53.2 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 21.3 mt-10 -51.1 -37.16 44.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.15 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -79.81 -33.33 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -65.19 -34.19 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.17 -31.39 67.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 109.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 22.5 m-70 -94.34 84.12 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.573 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.0 t-20 -131.62 27.93 4.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.2 m-20 -104.21 164.1 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 12.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.8 tttt -121.29 -8.73 9.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -152.76 19.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.838 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -40.65 100.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.06 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 54.7 m0 -118.93 147.27 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.41 176.4 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.15 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -114.53 133.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -130.57 120.07 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.5 m80 73.69 -40.94 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.23 -12.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -99.15 170.93 8.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 82' ' ' GLU . 18.0 t -105.57 129.79 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.3 m-85 -120.53 149.49 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.867 ' OD1' HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -91.34 90.76 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.151 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.3 mt -55.63 -27.95 52.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -54.6 -39.95 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 30.6 mtpt -75.44 -15.74 60.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 13.3 t80 -123.59 50.82 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -98.75 -36.54 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLU . 4.1 mt-10 -63.77 -58.76 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 6.1 mm-40 -52.84 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.93 122.07 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 4.16 4.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.13 -48.15 1.02 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.766 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.45 -162.81 28.91 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' CG ' HD23 ' A' ' 40' ' ' LEU . 12.6 mt-10 -85.38 -46.03 11.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -49.58 -46.88 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 46' ' ' GLY . 12.5 p -39.18 -29.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.151 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -100.32 -37.0 9.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -65.67 -41.06 92.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -16.79 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -105.85 -20.62 13.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.21 129.95 41.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.32 18.98 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.586 1.179 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 160.51 -176.37 37.17 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.59 128.09 34.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 0.801 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.922 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.13 -18.44 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -43.26 -53.43 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.51 -37.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 t-20 -90.7 -52.41 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.66 -17.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -35.42 25.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -33.86 73.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.56 3.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.82 76.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.084 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 40.1 m80 -68.05 175.6 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 0.734 . . . . 0.0 109.531 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -99.76 144.38 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -48.69 -22.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.82 -46.66 35.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.835 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.61 -40.43 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.214 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' NE ' ' NE2' ' A' ' 30' ' ' HIS . 45.5 mtp180 -64.62 -45.43 86.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.1 tt0 -67.14 -38.5 85.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.855 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -59.89 -38.98 83.81 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.617 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.76 -26.43 67.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.946 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.87 -21.57 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.5 t -84.33 -14.86 48.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 21.1 m-85 -105.79 -10.59 16.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -51.17 125.77 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.867 HD13 ' OD1' ' A' ' 35' ' ' ASP . 1.7 pt -106.23 -28.54 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.43 -147.92 5.87 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.09 165.28 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.8 119.31 18.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.656 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.82 -173.72 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.656 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -74.99 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -85.7 -25.88 26.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.359 1.037 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.543 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.5 m-20 -161.77 55.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 51.2 mmm-85 -71.22 -93.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 1.181 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 14.1 p -56.08 -13.28 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.943 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ARG . 5.3 mptt -66.21 -25.39 66.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.628 1.205 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.038 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -128.91 -35.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -31.65 -50.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.0 OUTLIER -137.27 107.56 8.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 p -61.88 173.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.55 -57.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -49.63 147.67 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.4 145.3 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 tt -50.36 164.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -135.51 160.2 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.5 t -98.19 137.41 36.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tt -110.75 -30.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.15 -65.15 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.645 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.31 162.69 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 177.75 164.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 p 178.51 173.7 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.576 1.173 . . . . 0.0 110.003 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 179.82 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -159.41 138.7 11.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 173.57 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.61 -62.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 8' ' ' VAL . 5.2 tttt 77.7 -56.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.1 113.77 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.781 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -123.48 168.58 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 110.936 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -105.53 151.46 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.936 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.0 mt -45.3 -37.24 4.64 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.385 1.053 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -52.4 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -53.0 -38.67 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.3 mt -75.36 -38.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -58.67 -30.16 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -31.83 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' TRP . 63.2 m80 -89.13 92.18 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.42 25.01 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 1.009 ' O ' HG23 ' A' ' 25' ' ' THR . 71.5 m-80 -106.0 159.09 16.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 p -69.21 -5.22 21.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -116.54 7.21 13.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -175.16 71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.009 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -106.98 108.58 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.781 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m0 -108.98 142.57 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 107.957 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.05 169.74 20.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.131 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -110.56 134.23 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.673 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -132.95 112.85 12.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' H ' ' CB ' ' A' ' 59' ' ' THR . 54.6 t-80 74.42 -45.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 170.28 -9.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 27.5 mmtt -100.86 166.44 10.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.1 t -109.35 126.38 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.374 1.046 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.705 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.3 m-85 -117.08 157.49 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -101.1 95.07 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 50' ' ' LEU . 37.4 mt -62.87 -22.41 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -19.24 55.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -5.99 24.96 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.213 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.1 t80 -123.01 3.65 9.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -56.69 -67.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.98 -39.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -74.55 -169.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.947 ' ND1' HG11 ' A' ' 49' ' ' VAL . 7.6 t-80 81.22 140.68 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.58 -42.56 90.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.791 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.78 -156.51 23.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.74 -49.31 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -48.42 -48.2 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.947 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.9 p -39.62 -28.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.034 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.4 mp -106.28 -41.56 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -44.17 96.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -60.24 -24.87 65.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.199 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.626 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.8 pt20 -95.3 -25.72 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -57.31 133.39 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.51 16.19 6.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.25 -173.46 39.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.974 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -62.74 132.73 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 0.786 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -114.9 -16.43 11.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.518 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.4 -47.39 66.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.553 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -99.46 -54.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.39 -21.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 1.9 mm-40 -82.41 -42.46 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.325 1.016 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -22.48 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -94.79 3.77 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.76 85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 36.9 m80 -78.98 -178.29 6.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 p -106.2 149.86 26.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.29 -22.15 11.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -74.52 -48.51 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.03 -43.56 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -65.08 -43.81 90.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.26 -40.46 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.173 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.22 -39.73 93.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.629 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.04 -23.87 56.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -56.34 -17.27 7.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 74' ' ' LEU . 11.4 t -83.77 -31.76 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.784 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 7.1 m-85 -87.14 -18.77 29.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.705 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -50.18 114.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.701 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.3 pt -105.76 -25.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.38 -145.49 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.56 159.67 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -71.73 118.86 15.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.238 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.691 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -65.31 -176.14 0.2 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.568 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.663 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.04 14.37 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.758 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -81.64 -26.51 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.841 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.77 64.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 21.4 mmm180 -88.2 -81.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.585 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 5.1 t -63.17 -7.04 4.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.56 -23.63 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.974 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -125.74 -30.41 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.585 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -30.68 118.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.571 1.17 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' ILE . 7.0 mttt 55.75 164.59 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.6 p -113.67 156.66 23.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 176.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -139.58 173.82 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.639 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -154.4 125.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.639 ' N ' HD13 ' A' ' 98' ' ' ILE . 18.4 pt -116.71 166.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.7 m -146.93 135.33 21.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 102' ' ' ILE . 14.5 t -121.27 167.26 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.433 HG23 ' C ' ' A' ' 101' ' ' THR . 1.4 pt -153.87 178.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.92 156.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.076 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.644 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -152.26 156.95 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -171.94 174.14 4.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.04 156.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -176.12 169.13 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.84 177.16 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 158.4 15.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.814 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -43.08 -67.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.2 mttt 77.78 -53.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.94 117.6 14.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.644 1.215 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -127.03 167.53 15.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p -107.25 150.15 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.827 HD12 ' OD1' ' A' ' 87' ' ' ASP . 4.8 mt -44.35 -37.05 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -55.49 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.17 -35.74 12.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.215 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -81.12 -33.05 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -26.31 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -77.98 -31.78 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.595 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.2 m170 -93.04 93.66 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.611 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.604 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.1 t-20 -144.38 23.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -108.89 162.98 13.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 p -61.86 -14.64 35.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -98.3 -22.61 16.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.595 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -141.63 74.59 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.966 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.813 HG21 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -94.61 98.83 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.839 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -120.01 144.63 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.608 1.192 . . . . 0.0 107.988 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.127 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.68 172.43 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.182 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.215 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.01 138.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -135.27 116.0 13.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' H ' ' CB ' ' A' ' 59' ' ' THR . 29.5 m80 74.25 -57.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 36.5 p90 179.1 5.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 13.3 mtpt -112.51 -178.5 3.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 HD11 ' A' ' 80' ' ' ILE . 98.1 t -119.07 127.14 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.685 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -118.77 146.45 44.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.678 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 7.9 t0 -88.36 92.01 9.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.083 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.8 mt -57.0 -32.78 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.486 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -48.11 -35.57 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -75.32 -37.02 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.822 ' O ' HD13 ' A' ' 50' ' ' LEU . 14.9 t80 -109.22 49.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 1.185 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 25' ' ' THR . 6.2 mt -89.71 -71.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' GLU . 8.4 pt-20 -42.54 -54.14 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -50.64 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.886 ' CE1' HG21 ' A' ' 49' ' ' VAL . 8.0 t-80 91.29 136.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.592 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.5 Cg_endo -74.97 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.06 -48.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.78 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.92 -159.63 28.06 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -80.33 -46.98 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 0.788 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.1 tt0 -43.73 -55.2 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.886 HG21 ' CE1' ' A' ' 43' ' ' HIS . 7.4 p -34.0 -34.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.083 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -99.29 -36.11 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -67.14 -41.78 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.7 pt-20 -61.55 -15.61 40.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -106.8 -23.87 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -61.29 134.0 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.53 18.18 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 163.94 -173.63 40.0 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.649 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.46 117.04 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 0.817 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.04 -21.14 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.561 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.47 -48.21 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.42 -35.33 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.251 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.519 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.6 OUTLIER -94.74 -51.62 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.775 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.74 -21.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.084 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -35.28 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -23.93 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG22 ' ND1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -91.42 4.14 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.86 74.91 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.566 ' ND1' HG22 ' A' ' 65' ' ' VAL . 32.7 m80 -67.58 -179.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.21 147.12 28.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -51.53 -23.67 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.99 -46.61 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.836 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.55 -42.84 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.25 -41.0 99.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.45 -38.15 74.43 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -60.02 -41.12 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -62.61 -28.01 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.084 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -59.06 -30.36 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 1.019 HG22 ' O ' ' A' ' 74' ' ' LEU . 6.0 t -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 15.5 m-85 -107.14 -8.26 16.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.685 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.6 mt -58.47 126.28 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.906 HD11 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.79 -24.47 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -167.7 -154.43 8.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -151.78 159.79 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD23 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.23 124.34 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.86 -173.11 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.97 9.29 2.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.594 1.839 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -25.76 37.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.827 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -159.43 41.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.663 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.0 mtp180 -85.62 -74.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.77 31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.663 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -128.6 -34.36 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.814 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -128.83 -34.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.9 t -37.54 -36.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 11.8 tttt -103.43 140.58 21.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.3 p -134.22 173.81 11.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.63 158.93 43.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.34 153.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 1.195 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 99' ' ' ILE . 2.1 tt -164.64 -50.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 98' ' ' ILE . 4.3 mt 65.02 135.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.1 m -145.2 143.66 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -130.52 154.75 47.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.6 147.58 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 178.42 173.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.3 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.711 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 179.81 138.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -178.38 164.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 p 168.81 147.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 158.55 0.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 171.72 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.51 78.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.23 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.804 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.09 -61.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 76.83 -56.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.57 120.0 16.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.804 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.75 168.98 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.4 p -106.91 157.46 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.837 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.2 mt -45.21 -38.34 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.587 1.179 . . . . 0.0 109.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -54.54 16.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 16.1 mm-40 -45.93 -35.72 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.7 mt -84.38 -33.95 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.85 -31.89 73.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -70.4 -30.92 67.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.62 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 5.1 m-70 -95.35 92.12 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.612 1.195 . . . . 0.0 109.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.699 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -141.19 17.7 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -102.08 157.79 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -60.04 -14.92 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -20.23 17.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -141.04 60.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.944 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.778 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -81.66 98.52 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.689 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.5 m0 -119.49 140.87 49.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.049 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.16 168.68 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.952 HD13 HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -116.34 125.25 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.792 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.52 126.56 52.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.759 ' ND1' HD22 ' A' ' 29' ' ' LEU . 46.9 m80 69.19 -59.65 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.63 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 50.9 p90 -178.1 1.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 4.2 mtpp -108.66 175.2 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' N ' ' HA ' ' A' ' 82' ' ' GLU . 54.4 t -114.7 127.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.2 m-85 -118.98 143.11 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -85.28 86.14 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.086 HD13 ' HB3' ' A' ' 50' ' ' LEU . 9.6 mt -52.94 -25.95 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 3.4 m -41.25 -47.22 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.94 -35.69 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.936 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.3 58.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mt -104.88 -63.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' HIS . 2.9 tt0 -64.25 -73.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 60.6 mm-40 -41.61 91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.868 ' CE1' HG21 ' A' ' 49' ' ' VAL . 63.0 t-80 176.43 132.46 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.518 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.06 77.08 3.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.87 -70.21 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.137 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.12 157.31 8.46 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.2 mp0 -42.95 -44.4 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.287 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.7 tt0 -45.02 -53.07 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.8 p -36.27 -30.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.086 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -107.65 -39.15 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.2 ttm180 -64.79 -45.76 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -58.57 -24.93 61.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.844 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -94.35 -26.17 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.433 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.6 126.12 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.88 14.31 4.24 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.7 -177.73 45.9 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.54 115.09 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.847 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.6 -6.2 58.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 61' ' ' ASN . 21.7 m -38.08 -79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -35.37 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 110.262 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.723 ' HB3' HMC3 ' A' ' 105' ' ' HEM . 0.1 OUTLIER -75.62 -58.43 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.792 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.16 -14.55 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.945 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -28.66 27.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.58 -43.52 22.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -73.59 -3.29 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.63 67.07 0.76 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 41.7 m80 -57.32 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.575 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 p -106.45 147.46 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -50.24 -22.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.68 -46.04 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.966 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.87 -43.93 86.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -64.99 -44.09 90.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.3 -39.08 93.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -62.07 -43.68 98.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.82 -23.28 51.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -16.82 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.907 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.2 t -89.97 -16.54 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.614 1.196 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD1' HG22 ' A' ' 77' ' ' THR . 30.7 m-85 -104.49 -9.79 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.719 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -54.0 123.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.586 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.1 pt -106.51 -29.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -166.38 -150.18 6.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.7 mt-10 -152.46 163.5 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.268 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -74.67 125.85 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.43 -176.19 0.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.92 3.09 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -23.1 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.837 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.3 m-20 -167.44 47.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.1 OUTLIER -81.31 -83.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 92' ' ' THR . 8.7 t -60.7 -8.17 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -3.86 57.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -147.4 -43.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 89' ' ' SER . 1.1 t -33.45 141.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.417 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 104.25 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.39 170.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -114.95 172.61 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.5 161.08 35.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.09 144.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.2 pt -110.73 178.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.5 m -120.68 149.79 41.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 110.376 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -108.77 176.29 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -78.37 -179.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.595 1.184 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -43.49 132.09 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.844 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.11 83.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -179.99 126.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p 178.15 136.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.058 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.17 148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.4 tttp 178.6 72.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 177.27 106.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -35.26 -69.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.657 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 81.53 -51.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -135.4 121.41 19.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -125.0 166.03 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.58 ' O ' HD12 ' A' ' 16' ' ' ILE . 68.8 p -107.67 154.32 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 87' ' ' ASP . 3.5 mt -46.0 -40.15 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -51.28 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.608 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 1.2 tt0 -49.0 -36.92 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.625 HD13 HD11 ' A' ' 28' ' ' ILE . 1.7 mt -82.09 -33.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -65.89 -34.57 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -68.98 -30.88 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 7.6 m170 -96.7 93.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.605 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.3 t-20 -147.16 27.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -108.18 158.62 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.3 p -55.85 -16.87 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.963 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -99.24 -30.07 12.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -129.42 75.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.935 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.2 m -97.39 94.9 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.91 137.53 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.039 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -145.86 168.5 20.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.936 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -117.58 127.69 74.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.646 1.216 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.42 131.86 54.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.494 ' H ' ' CB ' ' A' ' 59' ' ' THR . 2.3 t-80 67.82 -63.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 2.9 p90 -173.04 -1.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -111.33 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 80' ' ' ILE . 6.5 t -112.45 134.43 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -120.25 153.38 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 5.2 t0 -89.15 88.66 7.62 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -56.08 -35.32 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -50.87 -21.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -87.79 -39.09 15.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.056 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 1.5 t80 -77.6 -23.67 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.6 mt -31.38 -49.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.27 -57.94 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -65.78 -175.46 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.986 ' ND1' HG11 ' A' ' 49' ' ' VAL . 10.0 t-80 85.0 133.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.98 -52.18 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.04 -70.51 0.45 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.906 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 155.89 159.47 9.39 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mp0 -37.77 -49.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -49.02 -48.8 43.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.986 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -37.92 -31.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -98.72 -36.64 9.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -65.97 -42.37 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.63 1.206 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' GLU . 11.8 pt-20 -62.7 -14.73 47.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.685 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 13.1 pt20 -108.46 -22.61 12.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.2 131.09 45.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.62 15.34 2.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.55 -169.69 35.04 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.041 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -65.16 122.75 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.039 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -103.19 -19.89 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.499 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -47.55 -42.14 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 110.349 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.74 32.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.573 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 1.0 OUTLIER -94.99 -49.32 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.227 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.3 -17.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.943 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.9 -38.27 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -39.04 85.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -75.35 -1.14 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 90.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 58.7 m80 -81.13 -179.97 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.595 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -104.71 152.33 22.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -53.14 -23.53 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.06 -52.28 13.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.95 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.29 -45.95 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -63.08 -44.39 95.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 7.2 tt0 -59.35 -46.86 87.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -56.82 -40.02 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.628 1.205 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.09 -15.49 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.4 t -88.57 -18.7 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 17.6 m-85 -105.45 -9.25 17.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -46.94 128.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.776 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.5 pp -108.4 -29.03 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -174.6 -148.15 6.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.4 mt-10 -151.25 160.37 43.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.81 124.93 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -73.48 -176.28 0.47 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.581 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.639 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.05 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.402 1.738 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.02 -22.14 45.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 13' ' ' LEU . 5.7 m-20 -167.33 46.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' O ' ' HB ' ' A' ' 92' ' ' THR . 0.2 OUTLIER -82.16 -68.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -65.48 1.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -95.06 -9.01 35.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.041 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -141.57 -45.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.541 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.4 t -25.74 136.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.11 103.06 0.26 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.45 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.68 106.06 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.356 1.035 . . . . 0.0 109.938 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.38 144.79 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.94 156.02 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 pp -125.99 177.42 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.375 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -137.14 113.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.654 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -112.22 166.5 11.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 101' ' ' THR . 7.9 t -166.18 89.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' OG1' ' A' ' 100' ' ' THR . 5.2 mp -130.48 138.72 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.85 154.25 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.595 1.184 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.029 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.677 HMB3 ' CE2' ' A' ' 39' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.68 166.33 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.01 173.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -177.17 172.9 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.26 166.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 110.017 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.9 tttt -175.66 105.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 167.4 85.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -38.45 -62.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 4.3 tttt 78.08 -55.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.04 116.32 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.768 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -127.19 169.11 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' CG ' ' A' ' 86' ' ' ASP . 34.1 p -105.78 149.22 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.442 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.88 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.8 mt -41.48 -36.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.227 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.81 -50.29 65.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -53.73 -37.27 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.088 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.4 mt -74.38 -39.48 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -60.46 -32.96 71.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.359 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -68.6 -29.37 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 33.0 m80 -96.89 98.03 9.77 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 109.672 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.612 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -147.64 21.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' O ' HG23 ' A' ' 25' ' ' THR . 69.3 m-80 -106.48 152.88 23.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -57.5 -14.82 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -79.91 -40.72 27.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 4.9 m -152.83 89.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.405 1.066 . . . . 0.0 110.297 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.768 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 10.1 m0 -109.34 140.75 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.82 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.8 166.03 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.088 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -105.3 137.2 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.718 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -139.38 112.8 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 3.5 t-80 76.67 -59.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 5.9 p90 -175.58 -2.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -111.55 177.09 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG22 ' C ' ' A' ' 81' ' ' GLY . 33.5 m -120.14 138.48 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 1.6 m-85 -124.95 157.62 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -98.28 85.62 3.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.029 HD13 ' HB3' ' A' ' 50' ' ' LEU . 39.9 mt -52.51 -26.25 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -21.38 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 3.3 mtpm? -96.49 -26.67 15.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 4.9 t80 -103.3 15.31 29.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -63.91 -68.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -38.4 -61.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.193 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -52.49 -173.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.946 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.7 t-80 85.8 139.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 18.0 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.8 -48.51 81.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.807 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 -157.29 26.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.4 mp0 -83.89 -46.1 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.29 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -50.0 -46.82 53.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG11 ' ND1' ' A' ' 43' ' ' HIS . 7.6 p -41.96 -26.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.029 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.85 -41.45 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -48.23 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.27 -17.84 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 10.8 pt20 -103.46 -28.77 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.612 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -53.7 130.45 36.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 117.61 19.1 5.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.46 -175.66 41.82 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -72.59 128.22 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.909 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -111.29 -17.67 13.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.617 1.198 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.543 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.25 -46.71 12.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -36.08 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -90.97 -51.33 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.4 -20.8 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -37.82 19.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.04 -23.64 66.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.2 m -92.57 6.39 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.83 73.45 0.14 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' ND1' HG22 ' A' ' 65' ' ' VAL . 28.2 m80 -65.46 -178.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 0.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -105.78 148.0 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -51.85 -32.37 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.159 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.51 -42.33 87.49 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.9 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -60.09 -45.31 93.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -64.22 -43.96 93.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.3 mt-10 -63.62 -43.43 96.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -57.98 -41.62 83.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -56.53 -32.45 65.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.597 1.185 . . . . 0.0 110.09 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.18 -19.49 45.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.849 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -84.72 -20.55 30.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.191 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 26.5 m-85 -105.91 -4.54 20.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.693 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.41 127.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -107.34 -31.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.228 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.74 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -169.23 -149.22 6.14 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.4 mt-10 -150.75 162.32 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 0.71 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.839 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.01 122.53 22.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.688 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -72.11 -174.81 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.688 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.02 8.84 2.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.403 1.738 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' CG ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -79.26 -26.3 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.88 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -159.01 44.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.4 mtt180 -90.19 -72.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.51 40.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 88' ' ' ARG . 10.2 mttt -141.22 -36.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -124.77 -33.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 88' ' ' ARG . 6.5 t -41.13 -37.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.74 115.3 39.25 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 179.05 6.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.41 1.742 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.62 174.66 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.48 168.32 11.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m -81.23 166.84 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.047 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -91.53 146.05 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 98' ' ' ILE . 7.5 pt -61.04 -178.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.644 1.215 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -108.98 -176.94 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 m -107.95 160.55 15.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 pt -48.13 173.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -117.23 -50.5 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.909 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -155.62 52.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -178.62 175.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.21 151.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.98 148.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.065 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -179.51 4.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -111.13 150.29 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.85 -70.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 75.73 -58.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.96 126.17 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CD2' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -136.26 173.87 11.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' GLU . 30.7 p -106.09 149.41 26.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.028 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.1 mt -41.84 -37.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.57 77.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 12.2 mm-40 -55.01 -37.82 67.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -74.46 -33.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.64 -30.33 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -69.38 -33.19 72.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.722 ' CD2' ' CD1' ' A' ' 26' ' ' TRP . 3.3 m80 -91.17 84.44 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -144.3 30.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -107.91 167.28 10.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 p -64.98 -12.22 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -10.62 12.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.69 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -139.26 81.51 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.097 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.053 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -105.56 104.28 13.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.469 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.722 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 10.6 m0 -123.99 143.65 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.55 174.28 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -115.55 132.88 63.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.179 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -129.34 117.94 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 8.2 t-80 74.59 -54.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -179.12 -11.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.663 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -102.48 171.59 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' LEU . 13.7 t -111.24 137.54 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CE2' HG13 ' A' ' 79' ' ' ILE . 4.8 m-85 -122.18 152.52 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 80' ' ' ILE . 5.7 t0 -92.42 85.2 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.6 mt -52.94 -29.7 30.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.416 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.1 -31.57 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 29.4 tttt -82.48 -32.13 28.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 50' ' ' LEU . 2.2 t80 -92.34 20.91 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 6.5 tp -81.01 5.96 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.85 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 16.8 mt-10 -64.23 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 1.035 ' CE1' HG11 ' A' ' 49' ' ' VAL . 28.8 t-80 89.21 129.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.04 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -38.23 -51.78 2.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.971 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 128.11 154.89 8.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mp0 -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -48.9 -52.0 26.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.035 HG11 ' CE1' ' A' ' 43' ' ' HIS . 2.5 p -38.61 -29.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.007 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -97.29 -42.28 7.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -64.1 -48.18 77.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -58.66 -21.3 53.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.229 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.785 HE22 ' CHC' ' A' ' 105' ' ' HEM . 14.2 pt20 -100.56 -26.9 13.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.053 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -59.53 128.61 37.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.9 7.98 5.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.58 -175.28 45.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.003 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.16 133.88 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -112.59 -13.57 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -47.42 -53.84 12.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.99 -31.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -90.75 -56.22 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.76 -23.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -81.13 -42.79 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -23.27 67.27 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -99.2 4.82 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.52 63.89 0.27 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.522 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.6 m-70 -52.42 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.662 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -103.88 158.09 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -58.66 -23.62 59.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -72.69 -49.31 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.89 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -62.78 -45.09 94.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.59 -47.66 81.52 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.89 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.3 -37.24 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -66.95 -32.47 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -17.99 39.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.0 p -90.08 -16.39 29.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 11.9 m-85 -102.71 -10.09 19.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' HG3' ' A' ' 32' ' ' LYS . 1.1 mt -49.71 123.66 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.911 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -107.22 -31.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.125 . . . . 0.0 109.431 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.67 -149.69 6.3 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -152.87 164.84 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.028 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.51 117.99 18.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.648 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.46 -175.03 0.17 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.648 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 14.97 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -82.23 -27.13 32.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.627 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.3 m-20 -161.98 60.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.419 1.075 . . . . 0.0 109.271 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 48.1 mmm-85 -77.78 -82.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.908 ' HA ' HG22 ' A' ' 92' ' ' THR . 97.8 p -58.17 -11.59 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -24.79 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.026 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -132.98 -46.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -40.21 146.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 52.73 96.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HG3' HG23 ' A' ' 59' ' ' THR . 18.1 Cg_endo -75.05 -176.18 2.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 165.03 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.5 176.7 5.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.5 p -156.37 170.78 21.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.52 134.24 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.5 mt -121.84 113.56 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -81.86 150.0 28.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -148.23 133.04 17.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 103' ' ' ASP . 1.8 pp -89.86 -176.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.644 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 p-10 -148.32 172.26 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.991 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.851 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.16 176.64 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -156.71 162.56 39.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.387 1.055 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -178.36 156.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.21 160.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 174.22 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.354 1.034 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -102.68 132.95 48.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -37.11 -70.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.653 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 82.6 -49.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.32 127.51 28.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -131.77 170.57 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 111.045 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 16' ' ' ILE . 49.5 p -107.31 157.15 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 87' ' ' ASP . 5.5 mt -46.63 -39.07 10.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.61 -54.12 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.366 1.042 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.3 mm-40 -45.83 -36.57 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.4 1.063 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.4 mt -83.33 -33.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -64.76 -39.28 93.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 110.251 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -65.36 -29.27 69.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.417 1.073 . . . . 0.0 109.195 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.841 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 11.8 m-70 -94.13 88.06 5.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.605 1.191 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.28 12.27 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.604 1.19 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -106.59 162.44 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 p -63.49 -18.41 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -13.37 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -164.37 70.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.93 101.77 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.841 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 53.3 m0 -119.25 148.67 42.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.61 171.08 18.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.988 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -119.51 125.54 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.769 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -125.64 130.71 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' H ' ' CB ' ' A' ' 59' ' ' THR . 44.9 t-80 70.28 -54.42 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 176.9 -9.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.3 mptt -105.48 170.87 7.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG22 ' C ' ' A' ' 81' ' ' GLY . 11.2 m -110.17 133.74 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.649 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 1.1 m-85 -121.59 151.19 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.833 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.09 91.07 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.057 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -61.4 -31.54 71.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.04 -15.58 3.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.3 mttt -98.7 -28.86 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.037 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.9 t80 -99.71 9.66 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.59 -50.57 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 42' ' ' GLU . 2.3 tt0 -46.08 -66.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.78 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.684 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 85.67 123.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.1 Cg_endo -75.08 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.72 -52.36 1.42 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.658 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -159.8 28.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -87.82 -44.02 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 0.817 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -50.21 -45.85 54.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -42.23 -25.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.057 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.2 mp -107.8 -41.16 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -64.66 -46.08 83.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.192 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.4 mm-40 -59.42 -21.65 60.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.78 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.6 pt20 -97.89 -27.88 14.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.12 127.43 30.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 126.33 7.0 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.56 -175.6 46.83 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.032 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.09 119.76 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 0.818 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.854 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -93.19 -14.53 27.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.196 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -49.08 -51.67 30.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -43.77 -25.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -98.74 -54.73 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -45.65 -24.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -48.3 48.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -42.27 93.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -76.58 -1.11 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.7 88.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.523 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.9 m-70 -82.47 170.56 15.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 p -92.54 156.15 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -21.68 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.0 -47.57 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.72 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -65.11 -42.25 94.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.51 -40.32 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.63 -41.0 94.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.649 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -56.42 -28.72 60.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.877 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -14.24 14.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 74' ' ' LEU . 4.0 t -85.55 -20.75 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.343 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 46.5 m-85 -104.23 -12.93 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -45.8 119.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.238 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.833 HG21 ' OD1' ' A' ' 35' ' ' ASP . 2.1 pt -107.0 -28.4 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.732 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -171.54 -151.31 7.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.693 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.0 mt-10 -152.6 158.81 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.265 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.37 123.15 19.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.643 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.06 -176.46 0.51 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.6 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.643 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 7.86 2.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.427 ' OD2' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.89 -23.82 48.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.5 m-20 -168.22 49.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 8.5 mtp180 -82.54 -67.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.8 p -64.11 -8.1 11.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -21.77 44.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.032 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -124.01 -31.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 3.8 t -27.45 139.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -38.37 98.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -101.87 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.93 145.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -177.68 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.904 HD13 ' N ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -174.09 131.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.904 ' N ' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -136.44 137.68 47.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.054 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.5 m -122.53 142.21 50.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -131.83 132.33 43.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 142.88 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -91.77 -62.46 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.78 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -176.61 147.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.07 166.5 6.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.66 150.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.75 159.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 176.12 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -158.66 73.14 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -34.33 -63.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER 77.63 -55.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.61 130.06 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.63 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 20.5 p -106.38 145.54 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.018 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.4 mt -44.48 -37.26 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -60.64 -49.26 78.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' OE1' ' CD2' ' A' ' 11' ' ' TYR . 9.8 tm-20 -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.078 HD13 HD11 ' A' ' 28' ' ' ILE . 2.1 mt -70.44 -35.54 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -62.65 -34.44 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 5.1 mmmt -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 9.1 m170 -95.11 89.41 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.57 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.2 t-20 -144.86 27.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.25 164.59 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 p -64.38 -11.0 28.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -110.49 -10.87 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -145.28 73.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -98.54 107.62 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.648 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.4 m-90 -128.75 144.33 51.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.97 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.49 172.98 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.078 HD11 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -114.77 136.97 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.014 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -130.81 122.0 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' H ' ' CB ' ' A' ' 59' ' ' THR . 27.7 t-80 71.54 -50.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.639 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -9.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -100.22 170.94 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 28' ' ' ILE . 44.4 t -109.67 134.4 51.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 32.2 m-85 -122.03 156.81 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.49 ' HB3' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -95.97 89.82 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.5 mt -60.31 -27.97 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -57.15 -29.1 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.18 . . . . 0.0 110.359 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -16.32 33.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.841 ' CG ' ' CE2' ' A' ' 78' ' ' PHE . 6.2 t80 -118.86 43.61 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 47' ' ' GLU . 8.5 mt -91.3 -48.96 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' GLU . 6.2 tt0 -51.21 -61.59 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.4 mm-40 -51.85 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.768 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 86.0 122.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.687 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.02 -1.41 11.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.05 -60.0 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.998 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 148.01 155.89 6.82 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -38.83 -47.92 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.572 0.807 . . . . 0.0 110.295 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.9 tt0 -46.29 -53.44 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -36.71 -30.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -105.15 -41.65 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 2.3 ttm180 -64.4 -49.44 71.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.61 -20.92 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.1 pt20 -101.58 -29.3 12.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.32 129.99 33.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 125.61 14.5 3.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 161.94 -174.35 38.4 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.001 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -65.13 131.52 46.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -111.34 -15.15 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -44.94 -52.96 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.518 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.53 -28.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.59 -53.65 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.014 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.42 -17.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.53 -33.21 28.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -31.13 65.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.5 2.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.28 78.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 56.2 m80 -66.74 -178.8 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 109.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 8.4 p -102.87 154.59 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.06 -21.81 24.04 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -76.7 -46.53 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.916 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.38 -43.51 83.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 68' ' ' SER . 58.4 mtt180 -65.23 -48.92 71.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.916 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 14.7 p -58.46 -26.19 63.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -58.35 -13.35 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 74' ' ' LEU . 8.6 p -89.04 -30.28 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 12.4 m-85 -88.0 -19.16 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -44.21 110.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.895 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pp -96.78 -30.27 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -174.7 -142.45 4.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.5 mt-10 -152.87 150.97 29.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 0.716 . . . . 0.0 110.227 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -63.13 118.01 7.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.661 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -67.09 -174.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.625 1.203 . . . . 0.0 109.664 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.0 11.24 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.599 1.842 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.46 -25.58 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.625 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.4 m-20 176.69 53.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 6.6 ptt-85 -93.56 -50.48 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.1 t -70.89 -3.87 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -10.28 33.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.001 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -126.57 -38.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 91' ' ' ILE . 4.7 t -30.04 143.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.69 106.63 3.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.799 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.0 p -169.64 172.84 6.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 148.41 15.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.342 1.027 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.06 164.24 30.7 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.44 173.41 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.84 147.26 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -79.22 166.05 22.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.744 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.4 t -139.48 164.6 29.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 101' ' ' THR . 2.9 tt 52.02 177.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -164.94 164.68 20.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 1.033 . . . . 0.0 109.379 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.782 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.52 164.03 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.3 171.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.34 152.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.26 158.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -174.65 88.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -166.8 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -38.87 -70.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.19 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 78.85 -51.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.92 119.21 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -124.6 164.19 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 60.8 p -106.34 155.16 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.2 mt -44.35 -39.49 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -48.1 63.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 8.0 tp10 -51.08 -37.85 48.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.99 -34.61 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.77 72.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 8.0 m170 -95.78 90.96 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.62 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.681 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 1.5 t-20 -140.28 15.68 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -105.11 158.39 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.3 p -60.05 -15.13 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -93.1 -19.99 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -149.31 69.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -88.94 102.9 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.454 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -121.98 143.97 49.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.023 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.34 166.95 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -118.21 129.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -123.28 126.14 46.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 5.0 t-80 67.2 -60.44 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.528 1.142 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -175.3 -0.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.7 mtpt -108.55 163.59 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD11 ' A' ' 80' ' ' ILE . 21.3 t -109.66 126.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.692 ' HB2' HD11 ' A' ' 27' ' ' LEU . 2.6 m-85 -115.52 150.01 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.703 ' CG ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -88.25 96.04 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.067 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.4 mt -61.42 -26.58 67.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -49.02 -36.61 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.5 mmmt -79.59 -31.95 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.03 ' CE2' HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -106.25 59.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 47' ' ' GLU . 9.0 mt -107.0 -59.83 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.35 -61.45 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 3.5 mm-40 -55.01 -175.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.177 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.828 ' CE1' HG21 ' A' ' 49' ' ' VAL . 39.0 t-80 87.84 130.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.5 Cg_endo -74.9 86.73 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.32 -72.08 0.19 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.928 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 159.47 152.71 6.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.729 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.2 mp0 -33.8 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.2 tt0 -46.41 -51.9 14.08 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.928 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -36.9 -31.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.067 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -103.17 -37.9 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.5 tmm_? -65.38 -44.05 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -60.83 -21.33 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.2 pt20 -99.45 -23.92 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.189 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -63.01 129.12 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.37 15.79 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.71 -175.81 38.23 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.886 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -61.99 120.88 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.49 -15.49 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -49.75 -54.23 20.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -40.25 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.69 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.46 -53.43 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.625 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.78 -19.53 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.38 -45.6 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t0 -70.3 -58.49 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.24 -19.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 54.51 91.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.535 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -85.93 175.53 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 0.808 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.16 150.89 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.6 p -50.5 -32.42 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.433 1.083 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.38 -50.95 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.87 -47.88 60.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -62.22 -41.74 98.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.5 -48.03 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.03 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -55.77 -40.57 72.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -60.23 -33.72 72.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -59.55 -15.94 21.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.8 t -86.72 -17.15 34.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 23.0 m-85 -106.45 -11.47 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -47.17 123.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.781 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -109.26 -24.77 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -173.81 -149.77 7.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.5 mt-10 -152.39 167.29 29.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -71.28 127.09 31.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.903 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.17 -177.41 0.68 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.553 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.99 9.1 2.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.04 -23.96 52.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.592 1.182 . . . . 0.0 109.338 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.5 m-20 -171.63 73.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 36.1 mmm-85 -89.2 -72.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 28.9 t -62.94 -9.14 8.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -74.43 -23.58 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.378 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.988 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.2 pt -124.02 -35.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.9 OUTLIER -29.49 143.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.387 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -164.31 101.04 0.88 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.9 p -157.85 157.17 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.997 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 174.5 132.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.0 m -109.98 162.21 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 tt -146.57 162.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -89.77 156.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 t -166.56 159.84 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 t -119.11 162.08 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.6 tp -131.4 146.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.09 -54.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.908 HBB1 HD21 ' A' ' 27' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.63 157.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 172.0 122.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.4 p -177.21 117.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.951 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -178.46 120.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.636 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 pttp -174.32 161.51 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 80.44 93.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.05 -63.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 3.4 mmtt 75.49 -59.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -137.53 122.45 18.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.67 168.9 15.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 22.3 p -107.58 151.61 25.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -48.18 -36.5 13.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -48.22 79.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -57.43 -43.21 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.114 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.2 mt -69.2 -42.51 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' HD21 ' A' ' 20' ' ' ASN . 5.3 tm0? -53.66 -16.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.6 -44.41 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.825 ' CD2' ' CZ3' ' A' ' 26' ' ' TRP . 93.0 m-70 -81.43 86.07 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.585 ' ND2' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -129.01 7.98 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.553 ' C ' ' HG1' ' A' ' 25' ' ' THR . 58.5 m-20 -106.0 153.48 21.95 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -55.82 -12.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -64.4 -36.29 83.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -161.66 38.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' HB2' ' A' ' 36' ' ' LEU . 88.1 m -39.74 109.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.489 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.825 ' CZ3' ' CD2' ' A' ' 19' ' ' HIS . 54.4 m0 -119.14 152.83 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.916 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -160.69 175.73 12.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.114 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.13 138.47 42.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -138.35 114.14 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.5 t-80 76.07 -46.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.579 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 170.84 -10.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 2.1 mptp? -102.61 170.09 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 40.7 t -108.95 128.29 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.654 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 2.4 m-85 -116.09 152.0 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.01 88.24 7.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.104 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.6 mt -53.82 -31.63 49.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -53.77 -34.77 60.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 34.5 mttt -74.31 -30.73 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.826 ' CD1' HD11 ' A' ' 74' ' ' LEU . 66.9 t80 -118.07 40.13 3.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 25' ' ' THR . 0.7 OUTLIER -87.42 -56.39 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.48 -38.82 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.7 tt0 -75.93 -175.3 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.913 ' CE1' HG21 ' A' ' 49' ' ' VAL . 38.6 t-80 91.31 126.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.96 89.59 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.4 1.737 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.11 -74.27 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.989 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 170.91 147.49 5.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 17.1 mt-10 -40.4 -37.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.269 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.4 tt0 -48.92 -50.29 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 46' ' ' GLY . 8.5 p -39.29 -27.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.104 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.7 mp -104.39 -40.17 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.6 -46.05 80.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -58.66 -20.31 46.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.632 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt20 -100.79 -26.08 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.741 ' CB ' HG23 ' A' ' 25' ' ' THR . . . -54.81 128.98 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 114.95 22.98 4.77 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 164.43 178.89 38.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.78 124.39 22.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.398 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -101.31 -20.12 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.535 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -45.59 -45.55 13.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -39.98 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -89.13 -51.37 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.651 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -49.39 -22.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.072 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -36.58 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -22.71 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.602 HG22 ' ND1' ' A' ' 67' ' ' HIS . 1.1 m -96.68 6.64 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.68 86.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.602 ' ND1' HG22 ' A' ' 65' ' ' VAL . 29.0 m80 -77.78 -179.2 5.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 0.698 . . . . 0.0 109.671 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 p -105.14 152.77 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -55.06 -24.19 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.93 -48.64 35.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.935 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.31 -48.73 73.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.7 mtm105 -59.74 -42.83 94.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -61.48 -50.41 72.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -52.96 -37.94 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -66.09 -38.5 88.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.24 -18.56 38.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' GLU . 1.4 p -90.19 -18.49 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.432 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 7.5 m-85 -104.46 -1.86 26.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.599 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -56.08 128.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.9 pt -105.52 -33.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.11 -150.19 6.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.6 mt-10 -153.11 159.46 42.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.009 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -70.88 120.93 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.776 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.45 -175.1 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 0.0 109.657 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.06 11.24 1.5 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.65 -27.12 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -167.87 71.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.416 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 13.7 mmm180 -88.46 -69.59 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.579 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.9 t -65.78 -6.27 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -20.3 57.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.009 HD13 HD23 ' A' ' 83' ' ' LEU . 1.6 pt -127.72 -34.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.579 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 1.7 t -28.1 -50.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 92' ' ' THR . 9.6 mtpt -99.62 147.88 33.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 p -176.6 171.87 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.76 135.23 14.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.1 m -170.16 175.55 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 tt -119.43 173.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.71 -69.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m 60.04 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 t -171.04 169.17 6.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.58 150.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -59.08 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 110.002 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.92 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.66 92.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.613 1.196 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.54 158.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.2 p -178.18 139.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 24.1 p -178.05 151.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 169.87 164.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 72.92 78.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.98 -60.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.172 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.55 -56.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.69 112.91 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.604 1.19 . . . . 0.0 110.989 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -124.12 170.59 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 26.1 p -104.41 148.95 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.007 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.5 mt -44.32 -37.47 3.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.87 -48.96 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 6.5 tp10 -55.91 -38.99 70.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 28' ' ' ILE . 1.9 mt -73.49 -33.23 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -33.37 75.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -67.98 -32.02 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.808 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 4.3 m-70 -94.06 93.37 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.69 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.643 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.1 t-20 -139.8 15.46 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -100.06 154.51 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.7 p -55.8 -17.53 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -95.99 -31.28 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -126.68 65.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.885 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -88.92 104.6 17.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.808 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 48.8 m0 -122.48 136.59 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.097 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.14 166.92 27.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.023 HG21 HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -110.81 132.41 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.847 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -129.1 121.56 28.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB3' ' CE ' ' A' ' 32' ' ' LYS . 24.9 t-80 73.04 -49.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.66 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 176.96 -16.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 1.09 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -98.73 170.77 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -111.61 129.51 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 3.8 m-85 -112.91 149.62 32.93 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 2.3 t0 -84.07 85.68 7.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.14 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.4 mt -50.7 -22.54 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -60.35 -12.16 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -103.55 -12.33 17.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 9.4 m-85 -96.76 3.68 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 47' ' ' GLU . 2.1 mp -82.01 24.73 0.62 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' PHE . 7.2 tt0 -106.92 -64.52 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.244 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 4.7 tt0 -93.34 -145.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER 86.16 117.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.93 5.84 3.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.584 1.833 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.08 -47.83 1.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.986 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 127.51 152.88 8.04 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HG2' HD23 ' A' ' 40' ' ' LEU . 28.7 mp0 -37.56 -46.13 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.94 -46.32 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -40.09 -27.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.14 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -103.52 -35.53 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -66.37 -42.04 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -15.01 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.5 pt20 -108.69 -21.37 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.65 131.38 48.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.59 16.17 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.74 -173.36 35.7 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.023 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -63.6 132.25 50.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.097 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.95 -16.18 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -47.71 -50.09 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -44.17 -30.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.533 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -98.84 -53.3 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.847 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.85 -18.84 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -35.15 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -29.31 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -85.88 4.18 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.23 76.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.3 m80 -66.81 -178.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.657 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -104.87 150.38 24.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -51.46 -31.96 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -66.72 -47.67 71.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.928 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.12 -49.75 68.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.1 mtm105 -61.05 -39.12 88.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.69 -48.18 75.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.959 ' O ' HG22 ' A' ' 77' ' ' THR . 0.2 OUTLIER -54.55 -38.86 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -63.97 -36.55 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -61.32 -15.6 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.3 t -87.57 -24.05 24.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 20.9 m-30 -106.37 0.86 25.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -53.44 133.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pt -106.58 -35.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.2 -148.9 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt-10 -147.82 166.56 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.007 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.28 117.82 18.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.085 . . . . 0.0 109.243 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.654 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.92 -174.3 0.14 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.502 1.126 . . . . 0.0 109.631 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.654 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.0 8.89 2.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.48 -23.03 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.803 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -163.27 39.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.624 ' O ' ' N ' ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.07 -75.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.769 ' HA ' HG22 ' A' ' 92' ' ' THR . 11.4 p -59.12 -5.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.38 1.05 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.48 -27.11 32.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -131.66 -46.67 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 89' ' ' SER . 2.1 t -30.1 124.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 mmtp -127.29 131.15 23.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.04 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.381 1.727 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.03 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 68.81 169.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 110.236 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.39 162.63 8.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 109.936 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.1 tt -168.82 159.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.384 1.053 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.5 mm -136.1 127.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.7 m -118.27 161.85 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.429 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -140.27 161.62 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -174.93 134.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -109.11 -50.61 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.936 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.64 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 136.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -172.9 134.78 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 -179.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.9 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.49 112.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.88 -60.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 75.83 -60.74 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.5 124.56 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -132.13 170.85 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 p -106.37 150.22 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.945 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.3 mt -45.72 -37.17 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -62.93 -52.75 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.7 tp10 -53.06 -39.39 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.158 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -74.51 -35.19 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.371 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -63.41 -37.34 86.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -68.84 -32.41 72.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.79 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 10.4 m-70 -86.79 80.45 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.577 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 6.3 t-20 -126.49 21.48 7.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.391 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.6 m120 -104.75 157.99 16.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -75.47 14.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' ASN . 1.8 pttt -113.84 -16.44 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -151.49 18.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.864 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -36.56 108.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.424 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.7 m0 -120.66 148.19 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.04 170.43 22.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.158 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.3 136.15 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -135.26 117.98 16.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' H ' ' CB ' ' A' ' 59' ' ' THR . 26.7 t-80 74.61 -48.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 171.21 -9.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 28.7 mmtt -102.23 169.37 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.81 129.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.722 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -116.84 152.38 34.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -88.48 90.08 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.126 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -60.47 -28.47 68.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -20.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -98.67 -29.82 12.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -77.62 1.83 18.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 3.6 mp -84.53 26.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -106.48 -68.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -105.0 130.85 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.795 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 176.69 123.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.647 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.03 1.74 7.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.416 1.745 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.36 -43.21 1.63 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.432 1.083 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.882 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 123.25 151.11 8.19 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 3.6 mp0 -41.35 -43.55 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 tt0 -51.24 -45.19 61.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.0 p -43.45 -25.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.126 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 -41.07 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -47.63 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.348 1.03 . . . . 0.0 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -57.84 -21.29 41.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.674 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.3 pt20 -98.66 -28.13 13.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.864 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -52.87 129.48 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.17 18.2 3.87 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 159.29 -175.06 36.25 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.038 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.82 129.42 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.934 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.34 -20.16 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.544 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -42.54 -41.93 3.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -41.26 56.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -89.29 -48.28 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.659 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -53.31 -17.76 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.82 -32.26 25.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.168 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -31.47 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.02 4.62 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.28 82.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -73.39 -178.95 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.645 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -103.55 147.94 26.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -51.32 -21.33 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.34 -47.28 24.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.957 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.96 -44.03 91.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.253 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -64.75 -45.11 87.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.3 -37.96 89.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.957 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -62.51 -41.72 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.59 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 51.9 p -54.56 -24.27 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.076 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -63.6 -18.67 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 78' ' ' PHE . 1.3 t -90.45 -17.66 26.75 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.43 1.081 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CD1' HG22 ' A' ' 77' ' ' THR . 40.5 m-85 -103.11 -6.58 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.722 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -59.74 123.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.5 pt -106.52 -30.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -166.52 -150.99 6.59 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.578 1.173 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.96 163.21 39.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 0.763 . . . . 0.0 110.256 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.12 120.09 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.743 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -66.28 -176.54 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.63 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.07 13.0 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.44 1.758 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -79.35 -26.18 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -164.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.558 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 15.9 mmm180 -86.06 -75.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.61 -6.85 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -22.61 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -124.01 -31.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.578 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.5 t -32.52 -51.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 92' ' ' THR . 4.1 mtpt -143.61 165.19 26.24 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -75.04 -73.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 78.78 114.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.896 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -170.26 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER 81.24 143.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.891 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.1 tp -169.91 140.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -89.54 176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 t -71.79 153.17 42.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.0 t -144.38 168.0 21.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.51 131.61 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.91 172.71 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.721 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.54 176.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.324 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -171.23 177.93 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.7 175.83 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.06 177.61 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -177.42 152.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.376 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 161.79 95.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.79 -70.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 73.49 -58.37 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.409 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 124.23 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -127.96 163.69 23.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -106.2 155.26 19.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.455 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 28' ' ' ILE . 5.8 mt -45.03 -37.22 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -49.11 61.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 2.6 mm-40 -53.05 -38.57 62.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.62 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -77.14 -35.22 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.5 tm0? -63.11 -40.49 97.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.65 -29.29 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.8 m170 -95.9 87.74 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -139.98 15.19 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.31 161.88 14.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -16.97 49.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -91.17 -20.87 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -150.01 77.47 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.8 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -97.72 95.38 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.625 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -115.82 143.31 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.05 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.05 163.32 37.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.848 HG21 HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -111.51 124.95 68.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.719 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -122.89 125.39 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.403 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' H ' ' CB ' ' A' ' 59' ' ' THR . 13.8 t-80 71.16 -48.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.537 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 172.84 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -100.45 161.54 13.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.875 HG23 HD12 ' A' ' 80' ' ' ILE . 28.8 m -102.66 133.64 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.691 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.6 m-85 -118.98 154.94 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 11.9 t0 -90.0 86.49 6.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.5 mt -55.89 -33.21 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.457 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -53.23 -21.93 6.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 110.478 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 1.4 tttt -90.78 -31.47 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 4.8 t80 -101.63 16.52 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 47' ' ' GLU . 6.1 mt -68.53 -51.42 43.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.74 -50.46 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 5.1 mm-40 -64.03 -173.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.972 ' ND1' HG11 ' A' ' 49' ' ' VAL . 8.2 t-80 86.65 138.09 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.04 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.94 -45.95 69.96 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.418 1.074 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.8 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.33 -158.62 26.95 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.883 ' HB3' HD22 ' A' ' 40' ' ' LEU . 8.3 mt-10 -84.21 -45.36 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.2 tt0 -50.28 -47.24 55.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.972 HG11 ' ND1' ' A' ' 43' ' ' HIS . 8.3 p -40.87 -27.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -105.86 -42.43 5.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.68 -46.94 80.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.47 -21.98 40.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -98.54 -26.82 14.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -57.95 127.66 33.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 128.33 16.6 2.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.27 -171.76 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.879 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -67.07 115.52 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.05 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -94.11 -17.27 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.3 t -49.36 -37.38 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.25 -33.25 62.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -95.46 -48.58 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.719 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.78 -17.92 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -37.55 42.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -41.12 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -72.19 -3.85 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . 36.6 92.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 69.2 m80 -81.71 -178.03 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 p -102.72 149.59 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -49.29 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.66 -52.93 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.938 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.94 -44.26 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -64.81 -43.84 91.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -40.41 97.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -60.73 -40.41 92.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 50.1 p -55.87 -30.31 61.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -15.98 8.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.3 t -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 74' ' ' LEU . 20.4 m-85 -91.76 -10.55 39.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.31 113.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.387 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.964 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.5 pp -107.71 -21.07 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.746 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -168.94 -156.4 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.3 mt-10 -152.5 158.75 43.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 0.791 . . . . 0.0 110.241 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -65.65 124.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.752 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -70.98 -177.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.669 ' HD2' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -75.0 10.07 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.518 1.799 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.87 -27.52 57.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.3 m-20 -170.45 70.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 8.3 mmm180 -81.84 -74.73 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 90.3 p -62.72 -11.23 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -69.24 -20.84 63.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.064 HD13 HD23 ' A' ' 83' ' ' LEU . 1.3 pt -129.38 -41.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -24.37 -50.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -158.01 128.2 3.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.14 168.06 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.613 1.195 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.88 174.44 11.49 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.79 171.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.03 169.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -175.28 136.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -126.2 171.69 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.063 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -152.2 166.16 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.6 176.54 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.62 171.52 14.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.714 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.87 55.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 178.87 174.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.32 171.72 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 110.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.57 170.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.0 125.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -178.29 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -38.82 -76.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.225 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 81.46 -51.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.39 117.89 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -124.63 166.35 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.618 ' O ' HD12 ' A' ' 16' ' ' ILE . 46.9 p -106.92 155.98 19.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.733 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.9 mt -48.54 -38.03 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -49.5 62.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CG ' ' OG1' ' A' ' 12' ' ' THR . 4.1 mm-40 -50.07 -38.01 36.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 12' ' ' THR . 1.8 mt -81.56 -34.7 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.5 tm0? -63.72 -36.09 82.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.53 -31.0 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -98.77 93.45 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -145.71 22.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -108.24 160.54 15.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.7 t -59.68 -16.37 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -26.48 17.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.33 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.926 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -91.9 101.77 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ2' ' OD2' ' A' ' 35' ' ' ASP . 1.3 m-90 -121.67 139.1 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 0.0 107.971 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.887 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.27 171.6 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.084 HD13 HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -120.86 124.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -125.16 118.23 25.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.8 OUTLIER 61.66 47.01 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 66.08 3.94 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 1.3 mttt -104.4 160.6 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG12 HD11 ' A' ' 80' ' ' ILE . 43.6 t -109.99 133.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -131.46 156.69 45.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.8 ' OD1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -93.44 95.12 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.027 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -62.5 -32.92 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.438 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -49.41 -33.21 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -32.23 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CE1' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -72.57 -19.07 61.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -45.56 -35.07 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' PHE . 2.8 mm-40 -79.0 -163.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' HD1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 76.08 166.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.0 52.83 3.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 62.24 3.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.69 136.16 4.59 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 4.3 mp0 -109.34 -55.05 2.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 0.785 . . . . 0.0 110.222 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -51.6 -45.67 63.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG11 ' HD1' ' A' ' 43' ' ' HIS . 15.0 p -39.53 -29.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.027 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mt -99.2 -35.97 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' GLU . 4.2 ttm180 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.09 -14.5 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -107.82 -19.84 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.95 130.81 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.35 13.37 4.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.33 -175.97 42.88 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.052 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.53 115.15 11.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.733 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -91.32 -16.93 26.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -42.32 -41.89 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -42.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.617 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -86.32 -48.4 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.15 -12.9 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.39 -35.98 22.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -44.78 66.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -62.82 -9.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 63.99 2.02 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.6 m80 -51.96 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 0.725 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 70' ' ' ASP . 5.6 p -102.75 144.67 30.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -45.91 -23.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' SER . 62.0 t0 -76.8 -48.15 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 1.056 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.22 -44.08 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -64.57 -48.51 74.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.8 -41.37 97.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -59.33 -40.97 88.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.538 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.85 -30.43 70.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -14.66 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 74' ' ' LEU . 4.1 p -90.62 -26.92 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' A' ' 74' ' ' LEU . 20.4 m-85 -92.37 -7.05 48.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.715 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -53.74 120.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.944 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 pp -107.34 -23.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -172.2 -154.96 10.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' CA ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt-10 -152.22 155.69 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.084 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -66.59 119.83 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.211 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.614 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -67.88 -176.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.614 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.9 Cg_endo -74.86 10.5 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.59 -24.97 49.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 13' ' ' LEU . 5.0 m-20 179.17 50.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 1.2 ptt-85 -94.8 -47.65 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 23.1 t -73.56 -3.15 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.62 1.23 37.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.052 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -133.66 -42.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 5.1 t -37.21 127.7 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 59.63 155.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -85.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -167.79 -61.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.17 142.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.0 160.67 28.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.19 141.95 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.4 pp -77.93 -178.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 101' ' ' THR . 22.8 m -152.79 164.83 37.07 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 100' ' ' THR . 10.2 t -73.69 149.64 41.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 103' ' ' ASP . 2.0 pp -96.04 175.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.21 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.457 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.0 t70 -160.46 168.72 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.697 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.68 174.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.43 143.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.58 120.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.905 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -175.56 139.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.891 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.7 171.33 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -130.59 146.21 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -39.5 -69.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.925 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 8' ' ' VAL . 11.1 tttt 74.89 -58.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.33 131.55 34.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -133.9 168.36 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 44.0 p -107.45 151.44 25.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' A' ' 83' ' ' LEU . 3.0 mt -45.67 -39.59 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.212 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.83 -56.39 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 1.2 tt0 -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.9 mt -80.29 -34.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -62.97 -19.22 64.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -85.35 -30.1 23.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 11.7 m170 -86.19 86.6 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 2.1 m-80 -130.3 5.58 4.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -100.46 158.82 15.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -62.3 -19.64 63.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -13.37 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -154.3 70.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.102 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -99.01 91.47 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' CG ' ' A' ' 35' ' ' ASP . 1.2 m-90 -111.18 140.54 45.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.093 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -144.94 169.19 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.977 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -119.33 124.01 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -121.7 129.26 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 m80 70.26 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.49 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 mtpt -97.59 177.14 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 80' ' ' ILE . 29.2 t -117.54 134.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.704 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.6 m-85 -122.77 154.59 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' CG ' ' CH2' ' A' ' 26' ' ' TRP . 14.7 t0 -90.58 88.77 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.191 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 50' ' ' LEU . 6.3 mt -59.75 -33.95 72.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -18.08 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -97.79 -31.1 12.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE2' HMB2 ' A' ' 105' ' ' HEM . 4.1 t80 -97.58 9.81 41.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.64 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.41 -64.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' GLU . 3.5 mt-10 -41.25 -67.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.8 mt-10 -51.49 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.965 ' ND1' HG11 ' A' ' 49' ' ' VAL . 43.6 t-80 78.32 137.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.11 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.543 1.812 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -37.06 -48.09 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 126.1 156.42 9.25 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.64 -47.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.7 p -43.53 -24.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.036 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -106.06 -41.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.3 -45.95 82.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.32 -20.75 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.36 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.801 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.9 pt20 -99.31 -27.51 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.6 130.34 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.47 18.24 3.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.32 -177.53 38.45 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.022 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -69.29 124.41 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.864 ' HB1' HMC2 ' A' ' 105' ' ' HEM . . . -95.14 -7.8 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -50.86 -49.04 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.6 mt-10 -48.99 -21.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.582 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -98.95 -57.22 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.638 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.91 -22.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.621 1.201 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 4.2 mm-40 -71.41 -45.54 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -67.94 -57.08 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.366 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -53.52 -16.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 49.69 69.59 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 48.2 m80 -59.64 -179.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.551 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 p -105.83 151.09 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -51.6 -24.32 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -75.37 -45.0 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.47 -45.48 84.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.5 mtm105 -65.26 -46.15 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.46 -45.29 92.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -58.7 -41.64 86.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.477 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -56.29 -31.54 63.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -60.46 -15.51 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.8 t -90.5 -21.29 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -100.27 -6.95 25.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.704 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -56.6 121.49 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.91 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.6 pp -108.93 -25.22 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.704 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.15 -155.5 9.5 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.7 mt-10 -152.75 160.99 43.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.289 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.977 HD23 HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -68.8 119.99 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -67.07 -176.58 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.634 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -75.08 10.28 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.828 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.1 m-20 178.43 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 27.2 ptt180 -92.91 -51.43 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 18.0 t -72.71 -4.09 29.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -94.21 -4.87 48.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.022 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.4 pt -132.0 -43.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 91' ' ' ILE . 5.5 t -29.8 -46.82 0.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.584 1.178 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -90.88 124.91 60.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -122.4 179.15 4.67 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 177.41 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.95 170.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.921 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.17 165.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.55 163.28 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -125.12 173.77 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.391 1.057 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.0 m -142.66 133.02 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.1 mm -137.01 145.17 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -146.93 89.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.946 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.864 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 177.92 169.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.13 164.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.3 p -179.66 164.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.904 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.94 140.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 35.6 pttt -174.05 171.05 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 6' ' ' LYS . . . 68.54 89.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.618 1.198 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.67 -56.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 76.77 -60.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.66 116.67 14.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -126.62 167.22 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.413 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 66.8 p -107.12 150.66 26.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.92 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.1 mt -44.13 -37.98 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.92 -50.13 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -52.65 -35.26 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.216 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -78.77 -38.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -59.56 -34.32 72.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 14.5 mmmt -68.65 -31.04 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 12.4 m-70 -90.15 86.33 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -136.96 16.77 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -107.3 158.46 17.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.177 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -15.49 13.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -91.87 -29.63 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.572 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -138.73 74.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.074 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.93 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -96.24 94.18 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.762 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 12.3 m0 -115.38 148.4 39.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.942 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.84 173.59 15.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.216 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.12 135.82 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -137.13 112.45 9.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.379 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 55.9 m80 75.42 -36.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER 158.53 -10.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -101.67 156.4 17.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.84 HG12 HD13 ' A' ' 28' ' ' ILE . 8.7 m -100.24 130.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 4.1 m-85 -113.11 156.88 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.671 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 2.8 t0 -95.05 79.32 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.114 HD13 ' HB3' ' A' ' 50' ' ' LEU . 11.2 mt -54.01 -26.04 24.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.43 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -51.52 -51.41 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 20.8 mttt -83.19 6.32 19.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' ' CD1' ' A' ' 78' ' ' PHE . 6.8 m-85 -143.83 41.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 25' ' ' THR . 7.9 mt -87.25 -58.3 2.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.6 mt-10 -52.18 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 41' ' ' GLU . 4.4 mm-40 -30.44 95.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.92 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.54 130.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.99 3.95 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.33 -53.81 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.914 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 147.75 161.91 9.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -46.53 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -45.1 -49.08 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.92 HG11 ' CG ' ' A' ' 43' ' ' HIS . 2.6 p -39.76 -29.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.114 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -108.52 -44.18 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -64.01 -49.18 73.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.04 -22.32 26.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 9.0 pt20 -98.22 -29.36 13.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.93 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -53.6 128.52 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 120.48 17.7 4.28 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.15 -174.52 41.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.966 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.82 130.64 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.942 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -110.84 -18.84 13.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.505 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -46.68 -40.38 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.73 62.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -88.81 -50.4 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.04 -15.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.63 -39.11 28.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -38.55 81.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -73.56 -0.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.72 70.52 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 52.7 m80 -55.96 -179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 p -102.94 149.22 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -49.56 -22.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.9 -51.06 13.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.749 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -54.91 -42.97 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.409 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.45 HH21 ' CD2' ' A' ' 30' ' ' HIS . 59.1 mtp180 -65.07 -46.34 81.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.572 1.17 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 tt0 -61.46 -41.97 98.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.021 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -62.04 -41.66 98.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 24.6 p -53.4 -28.45 29.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.402 1.064 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -56.92 -37.87 72.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 74' ' ' LEU . 13.0 t -74.72 -20.52 59.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CZ ' HD11 ' A' ' 74' ' ' LEU . 12.4 m-30 -91.58 -10.41 40.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.65 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.74 118.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.332 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.478 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.4 pt -104.71 -28.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.645 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -166.3 -154.56 8.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.8 mt-10 -151.23 156.91 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.92 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.01 119.99 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.691 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.32 -174.3 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.557 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.691 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -74.91 8.15 2.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD2' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -77.63 -26.11 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 83' ' ' LEU . 4.7 m-20 -158.9 45.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 90' ' ' LYS . 2.9 mtp180 -84.05 -68.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.229 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -68.13 35.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.621 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -133.86 -36.22 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.11 HD11 HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -123.26 -37.94 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 3.5 t -37.54 -30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' ILE . 8.3 tttt -103.11 132.61 20.97 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.1 Cg_endo -75.06 168.69 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.7 161.07 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 173.58 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -149.9 138.89 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.914 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.79 139.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.9 pt -101.5 176.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.94 141.84 50.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.81 154.48 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 102' ' ' ILE . 4.8 mp -108.93 155.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.96 175.55 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.812 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.86 177.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -153.48 167.2 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.25 169.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.063 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.87 167.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 178.86 3.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -107.12 136.95 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.94 -58.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 10' ' ' TYR . 3.9 mmtt 73.18 -56.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.77 118.4 15.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.034 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -123.61 164.86 18.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -106.59 154.44 20.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 13' ' ' LEU . 5.0 mt -43.73 -38.87 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.99 -55.79 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 10.4 tp10 -44.53 -34.81 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.6 mt -84.53 -37.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -62.45 -17.55 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 20.7 mtpt -85.28 -26.72 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 11.8 m170 -90.48 85.44 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 17' ' ' GLN . 1.9 m-80 -131.28 11.26 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 25.8 m-20 -104.05 154.02 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -59.18 -17.67 29.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 -17.7 23.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -146.65 70.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.916 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -98.8 95.37 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.596 ' HB2' ' CB ' ' A' ' 19' ' ' HIS . 1.2 m-90 -116.09 142.85 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.037 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -146.56 171.12 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.888 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.3 122.39 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -122.01 129.98 52.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' H ' ' CB ' ' A' ' 59' ' ' THR . 45.4 t-80 68.64 -51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 175.23 -13.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -101.79 159.91 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.859 HG22 ' C ' ' A' ' 81' ' ' GLY . 34.2 m -102.55 131.46 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CD2' ' OG ' ' A' ' 75' ' ' SER . 3.1 m-85 -115.84 151.56 35.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 4.9 t0 -88.13 87.67 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.214 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.136 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.4 mt -55.18 -35.24 64.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.433 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -55.48 -16.87 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.216 . . . . 0.0 110.383 -179.906 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -28.34 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 2.6 t80 -98.23 21.77 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 1.5 mp -89.34 27.37 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 10.5 pt-20 -107.77 -52.82 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 7.3 tt0 -87.94 -149.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.742 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 83.82 120.1 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.591 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.22 6.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.62 -47.86 1.47 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.983 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 129.44 155.79 8.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mp0 -37.79 -45.5 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.3 tt0 -52.0 -48.97 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.983 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.2 p -39.1 -30.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.136 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -98.67 -35.05 10.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.53 -40.35 85.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.98 -11.73 42.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 12.5 pt20 -111.08 -21.33 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.88 128.68 36.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 124.12 20.33 2.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.427 1.079 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.83 -175.95 35.76 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.984 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.33 131.79 47.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.879 ' HB1' HMC2 ' A' ' 105' ' ' HEM . . . -106.91 -9.78 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -52.3 -45.4 65.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -22.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -98.89 -55.79 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.177 -179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -49.47 -21.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -45.12 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -70.38 -59.96 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -49.53 -20.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.422 179.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 53.07 78.87 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 55.7 m80 -70.37 179.55 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -105.08 150.64 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -52.08 -23.84 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.77 -45.03 38.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.23 -45.88 86.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 72' ' ' ARG . 2.4 mtm105 -63.9 -48.77 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 9.4 tt0 -57.63 -44.25 85.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -58.83 -37.81 77.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.659 ' OG ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -61.58 -32.64 72.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -55.64 -18.77 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.929 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.1 t -82.12 -23.49 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 39' ' ' PHE . 19.8 m-85 -96.65 -14.52 22.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -46.39 114.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.847 HD12 HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -108.19 -22.6 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.859 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -174.04 -152.26 8.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.647 ' N ' HG22 ' A' ' 33' ' ' VAL . 3.5 mt-10 -152.95 164.71 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.236 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -70.85 124.32 24.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.87 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -71.1 -178.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.04 10.62 1.67 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.462 1.77 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.03 -24.35 47.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.8 m-20 -168.76 71.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 14.3 mmm180 -90.19 -67.5 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.539 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 78.3 p -67.83 -6.3 20.76 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 -19.88 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.064 ' CD1' HD23 ' A' ' 83' ' ' LEU . 1.6 pt -126.29 -33.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 3.6 t -27.09 -49.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 92' ' ' THR . 18.1 tttt -175.25 113.86 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.83 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -139.06 145.07 39.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.17 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 162.29 36.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -179.19 142.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.79 147.74 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 tt -137.22 156.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -166.78 166.2 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.8 t -143.44 156.55 44.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.44 144.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.46 170.13 18.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.416 1.072 . . . . 0.0 109.945 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.879 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 170.51 121.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.53 125.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 5' ' ' SER . 87.3 p -179.64 117.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.6 OUTLIER 165.53 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.08 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -176.39 73.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.217 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -172.78 88.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -36.47 -65.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 76.62 -52.87 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.47 126.62 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.38 167.42 19.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -107.15 153.66 22.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 HD13 ' A' ' 91' ' ' ILE . 6.3 mt -46.59 -36.68 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -66.3 -51.5 56.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.279 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.1 mm-40 -52.82 -36.97 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.228 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.6 -34.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.22 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -33.11 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 17.4 mmmt -70.57 -31.66 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.45 91.11 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.676 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.583 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.7 t-20 -141.54 25.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -106.63 166.02 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -67.61 -8.26 33.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 -11.18 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.515 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -146.07 65.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.037 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.952 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -90.74 97.66 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.758 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -117.05 141.11 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.967 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.32 172.76 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.4 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.228 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -109.9 137.29 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.19 . . . . 0.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.73 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -137.8 113.33 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.605 ' CD2' HD22 ' A' ' 29' ' ' LEU . 3.7 m80 76.74 -40.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 163.11 -10.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -102.37 170.12 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 28' ' ' ILE . 1.2 m -107.19 136.44 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.667 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 3.1 m-85 -124.64 147.68 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 7.7 t0 -82.18 86.51 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.062 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mt -54.13 -27.0 30.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.337 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.8 OUTLIER -60.3 -11.61 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.489 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -14.77 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 78' ' ' PHE . 16.4 m-85 -97.38 -17.04 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -49.87 -18.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.1 pt-20 -95.28 -32.05 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -105.82 98.58 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.78 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 173.7 119.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' CG ' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.27 -62.56 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.912 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.02 158.69 7.84 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.4 mp0 -37.19 -55.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -43.68 -49.75 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.912 HG12 ' O ' ' A' ' 46' ' ' GLY . 1.9 p -37.46 -31.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.062 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.94 -42.93 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.44 -50.67 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.39 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -55.03 -20.04 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 8.3 pt20 -103.02 -28.89 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -52.96 131.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 119.53 14.82 5.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 168.84 -171.85 43.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -72.69 133.2 44.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.967 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -115.61 -17.39 11.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.13 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -44.71 -40.15 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -40.13 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.35 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -87.36 -48.99 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.194 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.43 -18.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.65 -32.47 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -26.58 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -88.88 6.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.9 69.64 0.27 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.562 ' ND1' HG22 ' A' ' 65' ' ' VAL . 35.8 m80 -61.1 179.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.422 0.719 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 p -104.94 155.37 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -58.4 -23.48 57.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.58 -46.05 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 0.0 109.379 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -46.49 82.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -62.72 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.35 -45.81 92.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.032 ' O ' HG22 ' A' ' 77' ' ' THR . 0.1 OUTLIER -57.19 -38.93 74.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.01 -31.72 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.602 1.188 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -28.06 69.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 74' ' ' LEU . 12.6 t -89.7 -13.22 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 5.3 m-30 -107.2 -0.21 22.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -59.71 140.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.996 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -107.7 -31.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -167.75 -151.8 7.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 8.8 mt-10 -149.47 152.92 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -58.87 119.39 7.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -72.95 -177.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.609 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 13.9 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -82.21 -27.93 32.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 1.2 m-20 -163.54 63.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.195 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 47.5 mmm-85 -76.97 -95.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.644 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 43.9 t -50.43 -10.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 88' ' ' ARG . 2.9 mttt -65.3 -38.34 89.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.996 HD13 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -136.1 1.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.644 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.1 t -48.86 -50.42 34.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.52 136.69 94.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.588 ' HA ' ' CG2' ' A' ' 59' ' ' THR . 18.5 Cg_endo -75.01 -39.51 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 p -178.85 -170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.62 139.1 13.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.2 pt -119.07 -170.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 98' ' ' ILE . 42.3 pt -114.43 179.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 100' ' ' THR . 1.4 t -148.88 120.05 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -99.89 166.71 10.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -173.9 147.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.777 ' N ' HD13 ' A' ' 102' ' ' ILE . 7.1 p-10 -171.31 167.42 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.897 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.865 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.61 168.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 173.47 163.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -178.88 177.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -167.85 174.07 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.19 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 20.1 mttt 170.14 -175.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.34 69.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.77 -63.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 77.28 -55.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 1.059 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -137.88 112.89 9.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -122.68 170.24 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.2 p -106.75 149.48 27.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.955 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.4 mt -42.81 -38.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.56 -51.67 61.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.25 -37.56 55.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.146 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -77.04 -37.07 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -35.47 79.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 21.4 mmmt -68.28 -30.47 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -96.2 95.75 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.615 1.197 . . . . 0.0 109.553 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.644 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.1 t-20 -149.97 30.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.865 ' O ' HG23 ' A' ' 25' ' ' THR . 71.2 m-80 -107.35 160.45 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 p -65.04 -8.35 15.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -22.43 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' ' HZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -153.56 90.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -107.96 111.17 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.779 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.6 m-90 -118.38 136.86 53.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -144.46 172.43 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.146 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -113.23 134.89 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -134.99 117.82 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.397 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' H ' ' CB ' ' A' ' 59' ' ' THR . 35.5 t-80 75.66 -46.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 170.31 -11.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -101.79 173.84 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.94 HG23 HD12 ' A' ' 80' ' ' ILE . 25.3 m -112.26 134.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.718 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.2 m-85 -122.96 152.83 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.7 t0 -95.03 91.37 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.079 HD13 ' HB3' ' A' ' 50' ' ' LEU . 36.1 mt -59.04 -17.36 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.5 m -46.8 -23.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.597 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . 8.4 mttt -95.13 -35.67 11.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.948 ' CE1' HD11 ' A' ' 74' ' ' LEU . 9.0 m-85 -73.15 -25.87 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 47' ' ' GLU . 11.4 mt -44.14 -49.69 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -55.52 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.94 ' ND1' HG11 ' A' ' 49' ' ' VAL . 44.7 t-80 81.51 135.38 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.639 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -75.05 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.573 1.828 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' N ' ' HD1' ' A' ' 43' ' ' HIS . . . -36.95 -53.35 1.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.962 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 132.94 158.29 8.77 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 7.8 mt-10 -38.83 -52.34 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -48.41 -48.27 37.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.962 HG12 ' O ' ' A' ' 46' ' ' GLY . 2.0 p -38.88 -30.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.079 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.49 -41.62 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.222 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.67 -48.87 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.332 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.61 -26.66 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.748 HE22 ' CHC' ' A' ' 105' ' ' HEM . 10.7 pt20 -92.38 -29.34 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.644 ' HB3' HD22 ' A' ' 20' ' ' ASN . . . -52.42 128.98 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.77 14.87 5.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.12 -177.86 41.56 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.969 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.37 135.57 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.214 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.87 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.55 -12.67 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.66 -53.31 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.469 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.3 pt-20 -42.01 -28.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -93.53 -54.3 3.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -46.17 -26.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.457 1.098 . . . . 0.0 110.89 -179.928 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -78.82 -42.68 27.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.84 -25.33 67.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.29 6.75 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.79 64.98 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.39 1.056 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' ' C1A' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -58.21 174.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 0.752 . . . . 0.0 109.63 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -99.11 150.15 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.3 m -55.04 -20.16 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.45 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.93 -52.91 10.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.802 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.82 -44.84 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' OG ' ' A' ' 75' ' ' SER . 36.5 mtt180 -64.37 -46.61 82.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 3.0 tt0 -58.58 -42.65 88.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.948 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.09 -41.13 91.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.639 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.58 -26.89 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.57 -15.19 49.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 74' ' ' LEU . 3.2 t -91.03 -19.16 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 77' ' ' THR . 5.8 m-30 -102.75 -5.13 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.718 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -56.91 126.75 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.94 HD12 HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -107.3 -22.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.873 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.27 -149.4 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.576 1.173 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 7.8 mt-10 -151.13 165.66 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 0.834 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.067 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -79.95 120.65 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.794 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.52 -175.78 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.551 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.661 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 12.15 1.3 Allowed 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.18 -26.55 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.6 m-20 -164.76 68.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 17.9 mmm180 -88.28 -74.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -64.74 -7.5 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.84 -21.07 60.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.067 HD13 HD23 ' A' ' 83' ' ' LEU . 3.1 pt -128.03 -36.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.577 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.4 t -26.19 135.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CE ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -42.85 102.34 0.27 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.419 1.747 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.5 t -100.73 109.23 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 162.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.2 169.11 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.074 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 tt -127.0 160.06 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -138.75 -168.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.5 p -136.69 -179.68 5.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -158.89 168.44 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 tt -118.12 166.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.52 164.99 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.863 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.12 107.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.62 114.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -175.84 150.88 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.525 1.141 . . . . 0.0 110.089 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 125.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -163.68 91.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.356 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 53.51 87.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -31.24 -65.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' N ' HG22 ' A' ' 8' ' ' VAL . 2.1 tttm 85.01 -45.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -136.55 129.57 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.16 169.86 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.7 p -107.58 150.15 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.455 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 91' ' ' ILE . 5.0 mt -45.15 -38.24 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -64.46 -52.49 57.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.223 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.1 tp10 -51.85 -38.98 58.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.227 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.7 -34.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 24.5 m-70 -94.18 91.22 6.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.542 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.552 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.3 t-20 -141.37 26.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 25' ' ' THR . 34.2 m-80 -107.25 161.46 14.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 p -66.71 -7.12 18.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -112.82 -7.43 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.492 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -158.98 64.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 0.0 110.062 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.82 98.83 9.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 19' ' ' HIS . 36.2 m0 -108.9 139.65 43.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 107.955 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -143.07 174.85 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.23 134.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.185 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.4 OUTLIER -132.93 114.89 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 70.98 -57.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.636 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 42.5 p90 -178.91 7.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 22.9 mtpt -117.62 166.81 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.708 HG23 ' CA ' ' A' ' 82' ' ' GLU . 2.5 t -111.48 129.66 66.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.727 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.7 m-85 -124.41 150.63 45.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.822 ' OD2' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -94.14 91.14 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.117 HD13 ' HB3' ' A' ' 50' ' ' LEU . 42.4 mt -51.85 -26.58 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -39.23 -32.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -76.06 -52.79 9.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.085 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.38 60.18 3.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 0.0 110.938 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.8 tp -105.26 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.13 -20.32 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -93.32 -168.22 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.838 ' CE1' HG21 ' A' ' 49' ' ' VAL . 50.1 t-80 86.6 130.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HG2' ' HHA' ' A' ' 105' ' ' HEM . 18.0 Cg_endo -74.96 76.25 3.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.14 -72.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.001 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 165.37 150.9 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 7.5 mt-10 -36.97 -48.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -46.55 -48.91 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 46' ' ' GLY . 7.0 p -36.66 -31.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.117 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -108.11 -37.0 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.8 -41.11 88.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -61.62 -17.72 56.41 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -104.35 -23.04 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -58.32 125.55 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 116.34 15.59 7.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.84 -177.42 46.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.66 127.17 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.9 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -103.46 -14.6 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -47.88 -45.67 30.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.457 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -28.28 3.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.557 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -97.94 -54.25 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.643 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.66 -21.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -73.86 -47.49 37.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.384 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -40.71 96.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -77.24 -1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.93 88.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 54.1 m80 -78.03 176.98 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.653 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -104.12 155.23 18.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -57.18 -23.59 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -72.05 -50.58 27.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.994 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.87 -50.58 68.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -57.8 -39.23 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 2.2 mt-10 -66.08 -44.17 85.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.261 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.994 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.74 -40.7 69.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -60.63 -37.94 83.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.948 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -59.79 -13.48 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.5 t -71.09 -41.88 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.643 ' CE1' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -110.73 18.04 20.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.727 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.61 122.56 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.822 HD13 ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -85.58 -43.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . -173.87 -137.74 2.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.708 ' CA ' HG23 ' A' ' 33' ' ' VAL . 6.7 mt-10 -151.47 165.3 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 0.716 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD23 HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -76.7 117.23 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -69.01 -174.73 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.533 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.672 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -74.9 11.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.24 -27.43 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -175.98 49.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 32.7 ptt180 -94.23 -53.07 4.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -76.98 8.9 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -110.38 -3.88 15.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.398 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.817 HD11 HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -141.38 -44.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 89' ' ' SER . 13.6 t -38.58 140.09 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 121.78 4.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.083 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 167.75 26.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -62.54 172.1 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -166.9 153.69 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -150.09 168.75 23.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.53 173.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.21 166.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -153.94 165.03 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -151.75 147.33 26.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.455 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.898 HD13 ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -131.06 147.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.898 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -51.35 179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.937 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.9 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.01 174.61 10.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -172.28 174.15 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.4 p -172.02 172.52 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.76 176.08 9.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -166.6 119.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.394 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 176.98 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -37.38 -66.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.15 -57.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.4 125.14 23.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.61 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -131.47 168.12 18.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.25 144.67 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.011 ' HG ' HD21 ' A' ' 83' ' ' LEU . 9.7 mt -43.02 -35.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -52.68 54.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 3.1 mm-40 -53.39 -33.43 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.06 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -81.61 -41.55 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.4 tm0? -55.0 -18.71 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -84.5 -44.29 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.625 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.4 m170 -72.24 86.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.502 ' OD1' ' HA3' ' A' ' 55' ' ' GLY . 2.2 m-80 -130.98 16.47 5.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' O ' ' OG1' ' A' ' 25' ' ' THR . 34.9 m120 -101.5 154.44 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.7 p -59.79 -14.29 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -100.83 -15.13 17.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.625 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.8 63.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.937 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.3 m -93.48 89.28 6.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.649 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -108.7 138.28 45.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.785 HD12 ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -147.61 171.82 14.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.06 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.73 130.65 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -129.3 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.694 ' ND1' HD22 ' A' ' 29' ' ' LEU . 56.0 m80 73.98 -40.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 159.93 -11.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.4 mptt -97.83 178.37 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 80' ' ' ILE . 57.5 t -111.04 126.59 68.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.701 ' CE2' HG13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -118.96 147.82 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' OD2' ' CH2' ' A' ' 26' ' ' TRP . 25.7 t0 -89.61 96.89 10.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.128 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.3 mt -64.83 -32.67 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.402 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -55.79 -20.97 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.63 -21.71 19.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.885 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 8.5 t80 -111.37 12.22 21.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.0 mt -62.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.71 -58.98 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.79 -167.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' ND1' HG11 ' A' ' 49' ' ' VAL . 6.9 t-80 82.03 141.12 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.696 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -74.98 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.4 95.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.72 -156.59 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.72 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.1 mt-10 -87.6 -47.03 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 0.802 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.8 tt0 -49.94 -48.47 51.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.834 HG11 ' ND1' ' A' ' 43' ' ' HIS . 12.2 p -39.81 -29.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.128 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.5 mp -97.5 -35.17 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.14 -38.47 82.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.634 1.209 . . . . 0.0 110.343 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.86 -14.81 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 12.4 pt20 -106.79 -20.21 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.05 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 103.15 24.69 7.83 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 169.45 172.29 35.95 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -73.12 117.11 14.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 27' ' ' LEU . . . -86.69 -10.04 54.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' H ' ' A' ' 30' ' ' HIS . 18.7 m -38.11 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -34.08 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.0 -57.81 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.713 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.15 -14.6 2.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.04 -31.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.05 -53.47 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -59.52 -14.2 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.05 63.83 3.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 42.6 m80 -53.47 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 p -105.43 152.5 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 m -51.48 -27.12 9.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.27 -49.06 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.762 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -54.18 -46.51 72.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -60.36 -44.31 95.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 77' ' ' THR . 1.6 tt0 -60.79 -47.65 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.885 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -56.19 -39.95 73.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.431 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -64.35 -33.68 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.941 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -17.91 63.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.77 -20.54 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 7.0 m-85 -99.04 -7.02 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.701 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -56.82 124.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.042 HD11 HG12 ' A' ' 33' ' ' VAL . 1.3 pp -107.93 -24.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.594 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -168.34 -151.74 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.62 159.4 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 0.713 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.011 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.17 118.32 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.635 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -66.0 -175.51 0.2 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.635 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.6 Cg_endo -75.03 10.93 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.0 -27.38 57.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.913 ' HB3' HD12 ' A' ' 13' ' ' LEU . 6.2 m-20 178.98 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 35.1 ptt85 -95.23 -53.85 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 8.4 t -73.49 -2.99 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.01 -2.7 52.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.916 HG21 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.18 -41.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.9 t -31.43 -50.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.2 OUTLIER -85.14 123.58 73.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.368 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.7 p -179.13 -172.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.31 -176.13 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.387 1.054 . . . . 0.0 110.182 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.4 p -141.32 133.68 28.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 98' ' ' ILE . 1.3 tt -163.18 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 pt -126.79 178.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.357 1.036 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -166.83 142.58 4.38 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -155.38 153.75 30.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.399 1.062 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -161.77 -47.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -49.87 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.234 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.926 179.907 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.648 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -107.69 -58.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.94 159.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.35 158.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.091 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -176.34 167.83 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 178.3 118.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 164.99 71.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -35.6 -64.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 79.3 -53.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.03 116.28 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -125.12 167.22 15.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -107.1 149.08 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.964 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.9 mt -43.03 -35.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -48.66 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 2.2 mm-40 -55.61 -31.27 62.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.151 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -85.88 -37.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 1.7 tm0? -58.73 -26.46 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -74.63 -45.0 47.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.37 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 11.1 m170 -84.38 95.08 8.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -141.13 11.22 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.47 157.66 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 t -58.96 -15.63 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.67 -29.16 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.583 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -133.81 73.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.774 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -89.98 111.08 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.3 m-90 -129.65 139.39 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.078 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -154.77 172.2 18.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.151 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.84 136.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.856 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -133.45 120.86 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' H ' ' CB ' ' A' ' 59' ' ' THR . 34.9 t-80 73.93 -48.74 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.557 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER 171.22 -10.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -99.1 179.41 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.021 HG12 HD11 ' A' ' 80' ' ' ILE . 39.2 t -115.54 130.39 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.8 m-85 -120.84 145.58 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.698 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 12.3 t0 -84.52 92.44 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.8 mt -53.92 -24.04 14.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m -61.14 -11.7 9.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mmtp -100.45 -11.89 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.5 m-85 -100.79 -18.86 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.4 mt -47.5 -22.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 39' ' ' PHE . 8.6 pt-20 -101.38 -27.1 13.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -103.95 85.45 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.87 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.3 t-80 179.5 135.96 0.26 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -75.01 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.42 55.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.614 1.196 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 136.57 -155.66 22.7 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.2 mp0 -84.54 -48.61 9.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.7 tt0 -49.2 -47.92 45.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.87 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.5 p -39.33 -30.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.05 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -101.76 -34.83 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.01 -15.64 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 13.0 pt20 -107.61 -21.01 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.48 130.59 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.78 17.57 3.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 158.41 -175.19 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.961 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -63.03 133.04 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.078 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -116.12 -14.48 11.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.676 HG22 ' OD2' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -49.49 -38.85 31.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.437 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -33.06 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.23 -46.73 6.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.27 -17.54 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.78 -32.48 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' GLY . 2.3 t0 -74.44 -51.34 15.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -55.71 -14.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 51.24 84.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.536 ' ND1' ' CD2' ' A' ' 62' ' ' PHE . 54.9 m80 -78.07 178.48 7.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 p -102.48 155.88 17.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -54.81 -24.75 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -73.74 -47.39 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -56.35 -47.66 78.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -62.29 -39.67 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -64.0 -47.49 80.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.082 . . . . 0.0 110.249 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.48 -39.16 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.214 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -63.07 -36.39 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -62.21 -23.24 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.377 1.048 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 73' ' ' GLU . 2.3 p -88.67 -16.7 31.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 13.1 m-30 -106.36 -1.61 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.3 mt -57.85 133.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.021 HD11 HG12 ' A' ' 33' ' ' VAL . 1.8 pp -108.32 -28.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.767 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -172.0 -149.32 6.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt-10 -150.51 160.07 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.019 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -74.89 119.43 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.52 -174.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.675 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.09 12.72 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.34 -25.42 39.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.661 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -161.65 66.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 22.3 mmm180 -89.77 -73.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.515 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 8.8 t -67.27 -4.84 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -17.65 48.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.019 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -130.76 -30.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' A' ' 31' ' ' TYR . 5.0 t -26.78 -46.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ILE . 3.0 tttt -37.98 121.0 1.01 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -40.09 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.39 1.732 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.89 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.27 -170.2 2.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.82 163.25 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 174.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -136.68 111.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.1 t -91.08 154.13 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -114.71 167.58 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.45 153.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -135.67 175.87 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.654 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 176.27 172.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 176.51 171.29 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 176.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.69 173.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.087 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -175.12 -173.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.04 142.67 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -40.84 -72.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.549 ' N ' HG22 ' A' ' 8' ' ' VAL . 3.4 ttmt 79.5 -52.65 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.62 111.64 8.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.82 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -120.84 161.45 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 29.9 p -104.25 155.9 18.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.762 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -44.65 -35.02 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -47.55 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.0 mt-10 -53.92 -32.84 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.663 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.0 mt -84.12 -45.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -55.19 -22.64 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.75 -43.77 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 4.3 m170 -86.98 95.28 9.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.632 HD22 ' HB3' ' A' ' 54' ' ' ALA . 2.4 t-20 -144.57 26.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -107.03 165.52 11.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -63.83 -14.06 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 0.0 110.048 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -105.68 -13.76 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.627 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -143.57 70.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.606 1.191 . . . . 0.0 109.978 -179.908 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.798 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -95.28 96.28 9.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.465 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.622 ' CZ3' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -116.18 140.48 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 108.006 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.926 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -148.67 172.37 14.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.792 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.62 125.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.557 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.3 OUTLIER -121.18 129.53 53.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' H ' ' CB ' ' A' ' 59' ' ' THR . 25.0 t-80 69.63 -50.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.15 -13.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.5 mtpt -96.12 172.06 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.032 HG12 HD11 ' A' ' 80' ' ' ILE . 85.4 t -112.0 128.69 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.1 m-85 -118.35 149.24 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.622 ' OD1' ' CZ3' ' A' ' 26' ' ' TRP . 11.1 t0 -87.35 93.72 9.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.098 HD13 ' HB3' ' A' ' 50' ' ' LEU . 8.8 mt -59.81 -33.64 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -51.53 -32.13 26.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 17.3 mttt -80.49 -31.81 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 35.4 t80 -111.32 33.63 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.5 mt -68.56 -70.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 42' ' ' GLU . 45.1 mt-10 -48.04 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -29.79 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 171.2 132.03 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 17.9 Cg_endo -74.96 2.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.9 -53.69 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.977 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 139.48 157.38 7.27 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.926 ' HB3' HD22 ' A' ' 40' ' ' LEU . 2.6 mp0 -41.0 -42.93 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.3 -41.17 62.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.5 p -48.57 -26.34 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.098 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.0 mp -104.03 -35.26 8.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -66.63 -41.02 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -64.31 -12.42 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.731 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 12.8 pt20 -110.83 -21.41 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.04 128.95 37.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.01 19.76 3.22 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.85 -174.32 36.65 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.028 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -64.67 133.0 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.926 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -108.43 -14.68 14.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -47.62 -55.24 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.99 -27.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -94.13 -57.43 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.04 -21.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 94' ' ' PRO . 5.2 mm-40 -71.99 -47.88 48.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -56.73 10.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -54.94 -16.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.41 79.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.5 m80 -69.9 179.95 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 0.749 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -104.99 146.04 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.4 p -45.09 -32.84 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.87 -48.25 66.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.239 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.931 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -53.15 -46.15 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -62.96 -53.72 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 -44.69 73.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -56.64 -39.63 74.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -64.89 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.643 1.214 . . . . 0.0 110.015 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -17.16 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.19 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 74' ' ' LEU . 2.5 p -91.17 -15.06 29.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 14.0 m-85 -104.66 -6.9 20.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.678 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -54.45 124.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.032 HD11 HG12 ' A' ' 33' ' ' VAL . 1.5 pp -108.93 -21.61 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.623 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -173.14 -155.06 11.06 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.5 mt-10 -151.59 161.04 43.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.095 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -67.6 119.63 12.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.658 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -64.96 -176.88 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.625 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.12 13.95 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -80.94 -26.41 36.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.629 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.7 m-20 -164.13 61.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 47.8 mmm-85 -76.98 -86.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 110.221 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.704 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.0 p -57.02 -13.19 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.067 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -67.68 -23.56 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.095 HD13 HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -129.06 -42.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -38.39 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 69.62 133.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.98 177.75 8.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.427 1.751 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -100.88 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.61 146.23 23.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -141.61 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.16 167.21 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.607 HD13 ' N ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -170.85 138.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.607 ' N ' HD13 ' A' ' 99' ' ' ILE . 9.3 t -131.08 146.55 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.4 m -140.5 150.21 43.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.8 tt -136.79 165.14 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 168.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.905 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.852 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -166.48 79.49 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 171.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.86 162.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 0.0 110.046 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p 178.46 153.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -163.66 -179.95 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -91.01 137.1 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -28.98 -62.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 83.47 -52.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -138.05 127.67 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -135.92 173.98 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 19.5 p -106.16 148.07 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.4 mt -46.47 -37.06 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.372 1.045 . . . . 0.0 109.234 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.35 -51.59 68.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 3.2 tp10 -54.76 -41.72 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.049 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -72.25 -32.78 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.8 mtpt -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.615 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 9.3 m-70 -93.2 90.59 6.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.542 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.686 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.3 t-20 -139.87 18.64 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -105.35 159.09 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 109.227 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -60.66 -14.01 18.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 110.06 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -20.53 18.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.615 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -145.74 68.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.48 1.113 . . . . 0.0 110.085 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.932 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -89.59 95.42 10.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.611 ' CE2' ' ND1' ' A' ' 19' ' ' HIS . 41.6 m0 -113.05 140.75 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.041 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.946 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -150.84 166.0 31.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.049 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -104.18 133.16 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' CE1' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -139.62 112.82 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 63.37 40.13 8.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.604 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.672 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 74.32 2.84 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 15.9 mmtt -105.44 175.32 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 80' ' ' ILE . 40.0 t -128.52 132.77 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -131.25 158.67 39.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.385 1.053 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -100.93 94.86 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.136 HD22 HD23 ' A' ' 50' ' ' LEU . 80.6 mt -56.0 -24.36 38.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LEU . 80.5 m -38.49 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -96.01 -44.91 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 3.0 m-30 -75.98 3.84 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.95 -46.19 88.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -73.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -48.6 108.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.566 1.166 . . . . 0.0 110.218 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' NE2' ' NA ' ' A' ' 105' ' ' HEM . 0.1 OUTLIER 172.44 128.28 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 109.589 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.3 Cg_endo -75.1 0.76 8.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.9 -55.13 0.57 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.73 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 156.54 -167.9 33.64 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 10.2 mt-10 -85.62 -44.86 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -47.43 -50.0 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 46' ' ' GLY . 13.9 p -37.2 -33.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.136 HD23 HD22 ' A' ' 36' ' ' LEU . 3.7 mp -92.81 -38.1 11.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -66.1 -41.51 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.41 -15.92 59.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 12.3 pt20 -106.8 -22.01 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.932 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -65.77 126.88 29.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.27 11.12 8.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 173.75 -178.72 45.53 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.992 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.09 135.17 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.946 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -118.18 -13.49 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.34 -39.12 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -27.79 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.18 -51.48 4.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -50.17 -22.21 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.858 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -35.83 29.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -28.83 66.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.3 m -91.49 7.32 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.77 62.48 0.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.438 1.086 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 27.3 m80 -50.76 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.564 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -106.54 153.25 22.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.922 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -25.32 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.69 -42.98 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -58.21 -46.51 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HE ' ' CD2' ' A' ' 30' ' ' HIS . 66.5 mtp180 -62.7 -43.07 99.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.18 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 -47.3 83.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -55.32 -39.37 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -60.84 -38.91 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.993 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.74 -8.84 7.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -78.8 -39.67 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.63 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -112.05 19.05 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.71 116.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.207 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.613 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -79.05 -44.43 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.223 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -175.77 -136.85 2.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.383 1.052 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.4 mt-10 -151.1 168.05 25.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.986 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.58 118.74 22.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -68.98 -175.55 0.26 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.586 1.179 . . . . 0.0 109.577 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.4 Cg_endo -74.98 10.29 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -77.28 -25.96 51.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.4 1.063 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.755 ' HB3' HD12 ' A' ' 13' ' ' LEU . 4.7 m-20 -179.15 51.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 33.6 ptt85 -95.3 -50.5 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -71.89 -8.7 55.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -10.19 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HB2' ' A' ' 57' ' ' ASP . 2.6 pt -126.2 -38.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 3.8 t -36.41 -31.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.1 tttt -173.49 109.43 0.32 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.3 p -140.84 -176.61 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.2 171.39 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 t -177.41 165.83 2.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.088 . . . . 0.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -165.48 129.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.36 134.99 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -136.07 130.23 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -143.65 149.63 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.08 152.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.94 176.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.976 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.859 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.97 165.84 26.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -177.65 165.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -179.24 163.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.053 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -177.87 158.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -168.83 -178.33 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -118.2 149.49 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -33.23 -64.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.4 mtmt 75.52 -55.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -135.59 125.9 26.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -128.52 166.55 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -108.06 153.45 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.4 mt -45.13 -38.32 5.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -51.76 49.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 13.1 tm-20 -49.65 -38.09 31.0 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.399 1.062 . . . . 0.0 110.285 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 mt -79.63 -35.33 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -63.62 -37.28 86.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -68.46 -31.54 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 10.6 m170 -93.27 88.85 6.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.57 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.5 t-20 -143.03 22.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -106.56 159.88 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 p -61.71 -11.12 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -103.18 -24.2 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -138.0 70.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.759 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -93.42 109.51 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.3 m-90 -130.83 140.13 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.968 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.22 167.86 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -118.74 131.85 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.3 OUTLIER -128.21 130.47 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.1 t-80 68.81 -64.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 11.5 p90 -173.28 4.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -118.72 166.96 12.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 28' ' ' ILE . 3.4 t -109.68 137.4 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 7.3 m-85 -120.18 156.55 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 4.6 t0 -90.41 93.32 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.138 HD13 ' HB3' ' A' ' 50' ' ' LEU . 3.7 mt -63.47 -32.27 73.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -50.67 -21.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.879 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -100.48 -28.69 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.586 1.179 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HMB3 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -78.02 -26.84 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -35.38 -63.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -43.92 -50.72 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -75.2 174.73 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 1.029 ' ND1' HG11 ' A' ' 49' ' ' VAL . 28.5 t-80 89.57 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.551 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.437 1.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.83 -56.14 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.942 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 140.41 157.01 7.06 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 40' ' ' LEU . 1.3 mp0 -38.14 -46.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 51' ' ' ARG . 2.0 tt0 -53.27 -50.33 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.029 HG11 ' ND1' ' A' ' 43' ' ' HIS . 2.6 p -35.68 -33.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.138 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.72 -37.78 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -66.1 -42.42 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.915 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.3 pt-20 -62.74 -16.96 59.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.2 pt20 -105.44 -22.01 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.759 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -64.23 127.66 32.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 129.54 16.39 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.67 -172.24 34.33 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 91' ' ' ILE . 6.9 t70 -63.23 128.93 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.968 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -106.32 -12.13 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -52.16 -44.68 64.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -18.0 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -105.75 -53.91 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -46.9 -21.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -72.99 -48.09 39.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -49.37 77.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -64.83 -7.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.71 71.16 0.46 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 40.2 m80 -60.7 178.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.609 0.829 . . . . 0.0 109.606 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -105.43 150.17 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -52.72 -23.67 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.776 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -55.12 -46.38 75.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -62.26 -54.1 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.9 -45.08 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.69 -36.67 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -64.14 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -16.32 26.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 p -91.13 -18.88 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 36.3 m-85 -101.64 -5.48 25.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.8 mt -54.09 125.56 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.947 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.3 pp -109.12 -21.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -176.9 -153.22 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.619 1.199 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.7 mt-10 -152.63 159.29 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.24 125.72 26.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.66 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -75.51 -175.71 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.66 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.97 6.69 3.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.73 51.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' HD12 ' A' ' 13' ' ' LEU . 7.7 m-20 -170.25 47.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 92' ' ' THR . 2.5 mtp180 -75.62 -76.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.537 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.5 OUTLIER -57.31 -12.31 2.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -72.23 -25.68 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.05 HD13 HD23 ' A' ' 83' ' ' LEU . 1.1 pt -122.38 -37.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.42 124.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.465 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 94' ' ' PRO . 28.8 tttt 61.72 140.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.366 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.57 1.826 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.17 166.83 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 178.68 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.301 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p -161.18 175.37 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.55 142.95 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 tp -135.71 144.63 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 101' ' ' THR . 18.9 m -104.05 166.94 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 100' ' ' THR . 15.2 t -133.57 148.47 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tt -118.65 174.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.25 171.94 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.802 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 173.81 158.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.34 138.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' SER . 9.3 t -178.91 138.81 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 4' ' ' SER . 1.2 m 158.56 130.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.86 178.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 64.43 87.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -39.65 -65.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 77.23 -56.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -136.24 117.32 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.422 1.076 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -126.54 168.3 14.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 p -105.49 150.72 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.948 ' HG ' HD21 ' A' ' 83' ' ' LEU . 7.1 mt -42.9 -37.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -52.32 49.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 5.3 mm-40 -50.88 -36.95 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.167 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.25 -34.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -60.15 -36.28 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -69.55 -29.86 67.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 26' ' ' TRP . 66.6 m-70 -81.09 88.58 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.572 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.49 18.91 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 25' ' ' THR . 24.0 m120 -95.88 143.94 26.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -69.32 4.4 1.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.9 ttpt -117.03 -10.94 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.365 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -156.17 41.37 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.64 117.19 16.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.796 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 14.3 m0 -112.93 145.23 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.93 169.16 21.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.167 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -108.57 134.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.764 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.0 OUTLIER -136.81 114.01 10.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 43.8 t-80 75.44 -39.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 161.61 -10.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 111.058 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -99.52 174.59 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.371 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 23.9 t -116.95 130.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.687 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.0 m-85 -122.83 152.93 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -90.01 84.91 6.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 50' ' ' LEU . 10.1 mt -48.12 -26.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -31.99 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -84.91 -28.77 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 64.5 m-85 -75.61 -28.55 58.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 47' ' ' GLU . 5.4 mp -47.08 -23.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -85.3 -39.08 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -103.41 93.17 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.24 -179.915 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.875 ' ND1' HG11 ' A' ' 49' ' ' VAL . 4.9 t-80 179.02 128.84 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.548 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.2 Cg_endo -75.08 -48.33 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 -47.64 30.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.742 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 143.21 -161.53 27.61 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HG2' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -86.0 -46.54 10.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -49.86 -46.62 51.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.875 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.4 p -40.64 -27.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -107.49 -40.84 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.386 179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.8 -45.23 87.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -60.64 -18.86 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.2 pt20 -101.54 -26.21 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -55.08 132.89 48.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.576 ' HA3' ' ND2' ' A' ' 20' ' ' ASN . . . 114.59 19.3 6.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 166.05 -175.03 41.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.965 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -70.54 133.93 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.92 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.26 -16.59 12.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 1.6 t -46.31 -49.09 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -45.36 -37.28 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -90.46 -52.37 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.753 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.51 -17.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -33.81 26.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.215 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.34 2.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 34.87 75.22 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.508 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 49.4 m80 -64.52 -179.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.804 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -105.2 154.59 20.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -55.44 -24.77 32.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -72.96 -47.53 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.927 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.15 -47.51 75.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -61.28 -43.85 98.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.09 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -54.83 -37.68 66.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.942 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -64.82 -36.45 84.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -17.94 51.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -91.26 -24.54 19.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 9.4 m-30 -102.6 4.14 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -60.08 132.84 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.2 pt -105.09 -34.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -170.59 -148.2 5.88 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.0 mt-10 -152.38 162.35 41.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 0.794 . . . . 0.0 110.229 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.948 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.7 118.13 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -64.31 -174.77 0.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.647 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.657 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 16.62 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -84.91 -26.59 27.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.621 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.2 m-20 -158.99 58.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 85' ' ' PRO . 6.3 mmm180 -78.47 -96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.611 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 2.2 t -53.51 -10.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -67.0 -36.46 82.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.965 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -123.77 -27.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.611 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -27.42 -45.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ILE . 1.2 ttpt -176.76 94.21 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -171.19 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.4 p -90.08 165.09 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.19 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -49.54 133.24 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 96' ' ' GLU . 2.7 tt -177.31 -47.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.5 pt 46.83 -163.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.3 t -173.23 152.38 2.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.7 t -157.36 134.16 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -148.92 -42.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.357 1.036 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 102' ' ' ILE . 2.0 m-20 -47.0 154.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.972 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.801 HMC2 ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.36 172.81 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.26 173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.47 171.53 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 164.1 32.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 16.5 mttt -160.12 167.36 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 71.34 66.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.355 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -31.2 -54.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 76.08 -58.8 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -138.13 128.56 26.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.93 175.41 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 30.4 p -105.19 155.52 18.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.2 mt -48.45 -38.01 18.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -53.7 48.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 2.0 tp10 -50.71 -39.57 51.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.222 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.8 mt -76.98 -33.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -65.99 -39.97 90.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -66.59 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 7.0 m-70 -87.05 84.02 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.542 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.641 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 4.2 t-20 -131.62 22.5 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' THR . 36.3 m120 -100.4 159.87 14.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -75.65 9.06 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -118.74 -5.94 10.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.575 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -153.93 22.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.005 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -43.08 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 46.8 m0 -115.66 143.36 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.907 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -152.0 170.44 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.384 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.222 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -112.51 135.19 52.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -131.06 117.86 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' H ' ' CB ' ' A' ' 59' ' ' THR . 7.6 t-80 68.28 -57.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -178.93 8.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 8.1 mtpt -117.15 170.99 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.448 HG23 ' CA ' ' A' ' 82' ' ' GLU . 36.7 t -115.06 136.87 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.671 ' CE1' ' CB ' ' A' ' 29' ' ' LEU . 6.8 m-85 -131.27 154.53 48.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -93.79 91.2 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.025 HD13 ' HB3' ' A' ' 50' ' ' LEU . 20.6 mt -56.57 -26.6 55.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -39.53 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' ' CD1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -83.33 -50.29 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -69.66 -6.83 34.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.053 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.001 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -45.8 -58.92 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -52.8 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -55.11 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.661 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 85.26 128.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.54 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.06 3.75 5.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.61 -51.02 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.611 1.194 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.686 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.08 -159.69 28.95 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 1.001 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -86.13 -50.94 6.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -43.87 -47.42 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 50' ' ' LEU . 9.9 p -39.54 -29.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.025 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -109.74 -44.91 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -61.71 -47.86 83.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -57.73 -28.54 63.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 10.3 pt20 -89.74 -27.62 19.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.0 126.68 23.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.39 19.86 3.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.56 -177.62 37.78 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.996 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.49 134.11 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -113.61 -15.1 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -42.42 -55.31 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -39.85 -39.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -84.46 -53.33 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.662 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -48.99 -21.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 111.035 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -83.66 -38.65 21.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -25.82 67.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -96.01 3.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 37.61 85.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 44.3 m80 -78.64 179.18 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -105.42 151.53 24.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 m -55.88 -25.55 43.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.336 1.022 . . . . 0.0 110.401 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 1.039 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -59.11 -47.52 84.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' NH2' ' CG ' ' A' ' 30' ' ' HIS . 71.1 mtp180 -60.45 -41.18 93.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -43.62 87.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.039 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.49 -40.01 68.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.659 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -37.56 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HA ' HG13 ' A' ' 79' ' ' ILE . 1.8 pttt -59.91 -11.5 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.6 t -74.3 -41.67 60.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.478 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.675 ' CD1' ' CD ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -109.93 16.81 21.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.652 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -53.01 126.22 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.07 -43.97 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -173.51 -137.56 2.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 4.9 mt-10 -154.12 170.38 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 0.816 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.881 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -77.2 125.12 28.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.881 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -75.2 -175.73 0.49 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.655 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.5 Cg_endo -75.01 12.03 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -80.96 -24.13 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -167.12 67.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' HIS . 52.7 mmm-85 -83.96 -82.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.575 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 9.1 t -57.76 -10.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.417 1.073 . . . . 0.0 109.935 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 88' ' ' ARG . 4.0 mttp -70.49 -30.13 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.996 HD12 ' HB2' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -122.64 -33.46 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.575 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -28.71 142.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 88.4 4.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.475 1.777 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -164.32 119.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 140.42 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -167.21 146.84 5.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 3.6 tt -170.83 168.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 98' ' ' ILE . 35.0 pt 47.11 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.596 1.185 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 m -157.71 143.4 17.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -78.43 112.46 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.74 176.59 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -176.24 -63.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.889 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 178.68 134.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -174.66 164.57 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.92 135.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 129.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 179.58 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 63.86 86.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.87 -66.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 8' ' ' VAL . 4.0 tttt 77.22 -56.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.61 109.38 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.789 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -116.86 163.6 15.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.5 p -108.0 151.88 25.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.69 ' HG ' HD21 ' A' ' 83' ' ' LEU . 6.1 mt -42.97 -38.93 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLN . 1.4 tt0 -67.56 -54.05 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 5.9 tp10 -45.7 -35.69 4.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 28' ' ' ILE . 1.4 mt -84.65 -29.55 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' C ' HD21 ' A' ' 20' ' ' ASN . 1.5 tm0? -69.65 -12.19 61.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 26.6 mmmt -92.14 -34.09 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.634 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 6.3 m170 -91.92 90.27 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -132.92 4.47 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.13 158.75 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 p -61.52 -18.57 59.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -13.96 25.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.634 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -144.31 63.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.083 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -88.55 93.26 9.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.732 ' NE1' HD12 ' A' ' 80' ' ' ILE . 1.2 m-90 -113.13 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 107.972 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.037 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.63 169.86 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.366 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.841 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -120.23 127.48 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.404 179.885 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.728 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -118.26 126.79 52.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' H ' ' CB ' ' A' ' 59' ' ' THR . 1.8 t-80 70.22 -49.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 173.97 -12.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 1.6 mttt -98.04 163.92 12.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 28' ' ' ILE . 40.5 t -102.61 128.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.661 ' CE2' HG13 ' A' ' 79' ' ' ILE . 3.3 m-85 -116.79 155.82 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' HD13 ' A' ' 80' ' ' ILE . 11.8 t0 -91.13 96.2 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.071 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.6 mt -65.87 -30.21 70.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.423 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -51.57 -19.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -92.99 -35.08 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 74' ' ' LEU . 8.3 m-85 -77.42 -8.27 57.47 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 111.072 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 47' ' ' GLU . 4.3 mt -57.69 -12.18 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' PHE . 2.9 tt0 -101.84 -48.44 4.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -84.51 106.82 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.744 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 169.77 123.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.577 1.83 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.6 -56.71 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.604 1.19 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.83 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 153.28 -165.59 31.36 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -80.39 -40.4 26.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 tt0 -51.58 -41.71 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.3 p -47.77 -23.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.071 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -110.38 -43.08 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -64.29 -46.59 82.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.2 tm-20 -57.73 -23.45 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.757 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.3 pt20 -95.68 -30.38 13.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -49.59 131.78 21.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA3' ' OD1' ' A' ' 20' ' ' ASN . . . 138.69 -10.59 3.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.97 -159.82 32.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.953 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.24 115.95 6.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.037 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -95.1 -16.55 22.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -41.4 -55.84 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -38.55 -40.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.381 1.051 . . . . 0.0 110.387 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -87.28 -51.9 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.207 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.723 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -52.3 -16.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.06 -33.62 24.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.99 -32.25 69.03 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -81.2 2.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.07 80.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 54.4 m80 -69.53 -179.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -101.51 148.42 25.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.922 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -50.58 -20.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.33 -50.22 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.905 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.13 -44.3 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 11.9 mtp-105 -62.58 -49.5 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.71 -41.72 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.79 -35.75 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.233 179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -62.12 -32.71 73.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -19.49 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -91.2 -23.7 20.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.747 ' CD2' ' CD2' ' A' ' 39' ' ' PHE . 7.7 m-85 -90.91 -5.97 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.661 HG13 ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -57.5 121.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.732 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -107.26 -22.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -171.57 -154.0 9.52 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.461 1.101 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -152.98 151.3 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.68 119.43 9.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.942 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.756 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.66 -177.53 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 109.622 -179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.614 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.04 10.74 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.19 -26.79 59.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.6 m-20 -169.57 69.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 6.6 mmm180 -83.37 -72.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -63.84 -10.76 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 110.047 179.938 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -15.23 61.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.076 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -131.13 -40.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -27.9 133.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.21 110.1 2.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.99 167.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.58 161.82 14.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.1 p -120.78 137.39 54.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.9 pt -120.51 161.51 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.62 177.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.3 m -129.84 143.05 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -174.17 132.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 110.428 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -55.55 167.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 176.2 162.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.344 1.028 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.948 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.757 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.84 170.86 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.22 155.46 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.27 153.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.75 152.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 110.057 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 1.9 tttt -174.25 102.05 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.901 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 176.93 70.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -30.05 -61.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.4 tttt 84.36 -47.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' ND1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -135.82 126.27 26.79 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -134.95 170.1 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -108.0 151.94 25.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.457 179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.921 HD12 ' OD1' ' A' ' 87' ' ' ASP . 6.0 mt -45.41 -38.39 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -53.51 46.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' CB ' ' CD1' ' A' ' 11' ' ' TYR . 7.7 mm-40 -49.98 -38.51 37.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.224 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.247 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -78.02 -34.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -65.37 -37.05 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -68.39 -31.63 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CE1' ' CH2' ' A' ' 26' ' ' TRP . 8.5 m-70 -89.7 87.56 7.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.533 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.669 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 3.0 t-20 -133.15 24.33 4.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 23' ' ' LYS . 58.8 m-20 -103.35 160.19 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.7 p -76.44 13.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -119.94 -7.87 9.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -154.68 21.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.033 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -38.8 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.784 ' CH2' ' CE1' ' A' ' 19' ' ' HIS . 46.2 m0 -116.58 136.85 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.53 170.36 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.247 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.28 134.46 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -133.07 115.0 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 1.04 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 72.97 -63.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' ' HD3' ' A' ' 32' ' ' LYS . 18.9 p90 -172.54 13.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -125.55 175.16 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m -119.81 132.92 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 m-85 -123.41 158.01 32.11 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -94.38 90.91 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mt -57.46 -26.06 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.411 ' N ' ' HB ' ' A' ' 25' ' ' THR . 1.6 m -39.28 -28.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 10.0 tmtt? -82.72 -50.62 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.981 ' CE2' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -69.03 -5.0 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 111.069 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.949 HD13 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -43.19 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.35 1.031 . . . . 0.0 109.184 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.2 -48.79 77.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 2.1 tt0 -54.32 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.688 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER 86.8 128.34 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.645 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -75.08 3.89 5.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.62 -49.62 0.74 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 154.76 -165.53 32.1 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.949 ' HB3' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-10 -83.83 -47.35 11.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -47.03 -47.03 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 46' ' ' GLY . 10.0 p -39.52 -29.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.045 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -108.08 -44.49 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.2 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tm-20 -57.54 -26.77 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.684 HE22 ' CHC' ' A' ' 105' ' ' HEM . 11.1 pt20 -92.22 -27.05 17.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.033 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.78 130.54 41.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.31 18.84 6.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.12 44.85 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.648 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.98 121.85 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 0.727 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -95.69 -15.43 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 60' ' ' GLU . 25.7 m -37.23 -69.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 59' ' ' THR . 2.6 mt-10 -30.95 -40.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.313 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.651 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.52 -18.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 3.4 mm-40 -75.48 -43.49 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -56.05 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -54.84 -16.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.62 84.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.56 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 51.8 m80 -77.49 177.21 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 0.742 . . . . 0.0 109.616 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -105.08 152.5 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.74 HG23 ' NH2' ' A' ' 72' ' ' ARG . 2.6 m -54.35 -26.17 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.51 -44.69 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 1.005 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.97 -49.47 76.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.051 . . . . 0.0 109.238 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' NH2' HG23 ' A' ' 69' ' ' THR . 24.8 mtm105 -59.55 -41.54 90.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 1.1 mt-10 -65.24 -41.94 93.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.005 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -56.54 -40.41 75.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.653 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.38 -10.29 10.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.1 t -74.21 -41.83 60.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.31 17.6 20.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.642 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -54.99 135.14 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.883 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -99.31 -39.46 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -177.44 -142.84 4.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.5 mt-10 -150.18 168.45 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 0.718 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.547 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.99 127.69 32.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.7 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -78.88 -172.58 0.34 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.7 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.0 Cg_endo -75.04 10.4 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -25.88 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -160.14 38.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.631 ' C ' ' H ' ' A' ' 90' ' ' LYS . 3.0 mtp180 -84.27 -69.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.7 p -69.81 32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.631 ' H ' ' C ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -131.98 -31.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.857 HG21 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -130.98 -37.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 88' ' ' ARG . 3.9 t -38.18 -34.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.81 23.62 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 169.97 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 170.98 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.89 168.54 17.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.46 176.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.93 175.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.8 m 59.87 150.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 101' ' ' THR . 10.0 t -170.51 104.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 101' ' ' THR . 12.9 pt 49.88 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -179.95 119.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.067 -179.978 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.895 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.35 155.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.12 158.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.568 1.167 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 p 174.36 161.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.65 160.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 174.86 -174.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 -179.936 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 67.88 88.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.52 -55.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.0 mttm 72.81 -61.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.62 119.61 18.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -126.64 169.7 12.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HD12 ' A' ' 16' ' ' ILE . 42.2 p -105.45 157.77 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.869 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.0 mt -49.57 -37.23 26.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.54 -57.31 6.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 26.0 mt-10 -43.17 -37.85 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.695 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 1.5 mt -81.37 -38.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.481 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 2.0 tm0? -58.66 -15.89 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -91.0 -30.07 17.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CE1' ' OG ' ' A' ' 24' ' ' SER . 11.7 m-70 -80.42 73.37 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.68 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.542 ' N ' HD22 ' A' ' 20' ' ' ASN . 1.7 m-80 -121.21 15.03 11.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.618 1.199 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 23' ' ' LYS . 62.1 m-80 -106.01 155.71 19.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.892 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 70.6 m -74.2 17.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -111.41 -17.29 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.661 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -155.25 25.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 HG22 ' HB2' ' A' ' 54' ' ' ALA . 2.8 m -40.15 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 24' ' ' SER . 40.2 m0 -116.02 153.51 31.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 107.953 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -152.76 176.46 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -123.02 126.77 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD11 ' HAB' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -122.73 127.68 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 62' ' ' PHE . 1.3 m170 67.24 -60.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 32' ' ' LYS . 2.1 p90 -178.6 10.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mtpt -117.19 178.26 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 70.0 t -120.37 129.6 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.683 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 2.4 m-85 -122.19 154.41 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -92.68 93.3 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 50' ' ' LEU . 12.5 mt -61.58 -36.16 79.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -52.43 -23.39 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -88.52 -34.03 17.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 18.4 t80 -103.38 19.28 19.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -69.45 -62.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.95 -49.04 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 3.3 mt-10 -66.25 -168.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.851 ' ND1' HG11 ' A' ' 49' ' ' VAL . 3.1 t-80 86.13 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HG2' HAD1 ' A' ' 105' ' ' HEM . 17.9 Cg_endo -75.11 -45.04 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.04 82.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 146.99 -155.3 26.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.2 -44.46 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.5 tt0 -51.63 -46.22 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.851 HG11 ' ND1' ' A' ' 43' ' ' HIS . 13.2 p -42.68 -24.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mp -105.5 -41.69 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -65.62 -45.59 82.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -59.16 -20.76 56.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 11.0 pt20 -98.81 -27.15 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -54.31 125.32 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.95 24.72 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.71 175.04 31.29 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.062 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.33 114.63 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 0.709 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.906 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -84.66 -13.66 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -44.82 -51.65 9.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.926 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -42.6 -34.7 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.544 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -92.23 -55.26 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.924 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.635 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.0 -15.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 61' ' ' ASN . 4.6 mm-40 -80.69 -41.58 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -38.61 81.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -76.88 1.06 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 33.86 76.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.571 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 37.9 m80 -61.5 177.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -104.27 154.13 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 p -52.75 -32.36 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.69 -51.87 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.787 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -50.07 -46.06 53.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.79 -39.61 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.256 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.83 -47.68 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.787 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -57.59 -38.28 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 39.0 p -63.86 -33.16 75.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.926 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.74 -17.22 55.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 74' ' ' LEU . 3.1 p -89.24 -19.86 24.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 39' ' ' PHE . 18.5 m-85 -105.28 -4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -56.34 126.26 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.639 ' CD1' ' CD2' ' A' ' 26' ' ' TRP . 1.2 pt -106.87 -29.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -168.86 -152.92 8.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt-10 -153.15 161.16 42.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.968 ' CD2' HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -69.94 119.87 14.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -68.17 -176.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.411 1.069 . . . . 0.0 109.566 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.604 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.7 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -76.71 -24.41 53.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.826 ' HB3' HD12 ' A' ' 13' ' ' LEU . 7.2 m-20 179.33 49.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 21.4 ptt180 -93.61 -50.52 5.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 98.5 p -70.82 -6.08 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -16.22 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.062 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.7 pt -120.03 -34.74 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.5 t -34.62 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 91' ' ' ILE . 15.4 tttt -105.5 123.89 38.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -73.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p 172.53 -66.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.31 140.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 t 174.28 156.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 tp -173.56 138.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.98 154.41 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -147.03 177.65 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 102' ' ' ILE . 2.6 t -162.88 101.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 103' ' ' ASP . 0.2 OUTLIER 29.11 -104.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 102' ' ' ILE . 24.2 t0 66.16 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.918 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.906 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.57 160.19 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.9 175.5 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.55 170.4 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.962 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 174.06 15.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -169.93 124.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.5 88.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.787 HG21 ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.84 -69.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 2.9 mttt 74.86 -59.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.3 127.32 27.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.787 ' CD2' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.98 168.07 16.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 16' ' ' ILE . 34.4 p -106.68 151.88 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.926 ' HG ' HD21 ' A' ' 83' ' ' LEU . 4.8 mt -49.31 -39.44 31.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.97 -45.27 89.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 1.2 tp10 -56.96 -45.7 82.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.597 HD13 HG12 ' A' ' 28' ' ' ILE . 2.0 mt -70.38 -33.29 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -61.27 -39.52 90.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.053 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 19.1 mtpt -66.26 -32.57 74.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.399 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.97 87.15 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.682 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -136.45 12.35 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -105.01 157.27 17.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 82.6 p -58.99 -11.69 3.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -64.99 -41.01 95.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.3 m -157.64 46.65 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.555 1.159 . . . . 0.0 109.989 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 54' ' ' ALA . 22.0 m -40.99 104.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 1.032 ' CH2' HD13 ' A' ' 80' ' ' ILE . 79.8 m95 -116.15 147.41 41.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -151.61 177.25 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.915 HD13 ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.0 127.88 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.5 OUTLIER -121.85 123.15 41.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.577 ' H ' ' CB ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 67.6 -59.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.526 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 35.3 p90 -179.66 15.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 4.2 mtpt -122.01 165.06 16.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.4 122.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 1.5 m-85 -119.14 150.18 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.942 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.9 99.64 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.115 HD13 ' HB3' ' A' ' 50' ' ' LEU . 19.8 mt -62.83 -29.83 71.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -53.63 -19.15 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -83.98 -37.65 21.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.724 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.8 t80 -113.24 36.91 3.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -81.62 -34.63 30.78 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.401 1.063 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.34 -25.3 21.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.184 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 1.1 mm-40 -97.01 90.35 5.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 49' ' ' VAL . 48.7 t-80 -178.47 133.23 0.31 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -75.03 87.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.44 -68.31 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.587 1.179 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 158.28 152.23 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 mt-10 -37.27 -44.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.7 tt0 -48.49 -47.99 38.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 46' ' ' GLY . 9.8 p -37.85 -30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.115 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -108.12 -39.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.52 -41.75 97.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.366 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.46 -29.57 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.832 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 8.9 pt20 -89.39 -23.12 22.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -61.3 127.72 32.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 121.04 12.99 5.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.56 -176.76 44.68 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.061 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -66.19 117.35 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 0.72 . . . . 0.0 109.378 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.91 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -87.98 -16.63 33.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.577 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -48.66 -55.4 11.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -37.62 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.645 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.5 OUTLIER -96.33 -55.09 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.94 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -46.86 -22.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -80.38 -42.49 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -24.15 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -100.47 7.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.226 -179.938 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 31.91 78.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 1.1 m-70 -69.66 162.91 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 p -90.26 155.38 19.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -56.99 -21.49 30.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 -53.89 11.22 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -52.54 -45.41 66.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 30' ' ' HIS . 71.3 mtp180 -64.61 -41.06 96.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.93 -41.38 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.78 -40.39 92.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -59.1 -26.41 64.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -55.69 -17.83 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 74' ' ' LEU . 27.1 p -82.12 -28.0 32.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 4.1 m-85 -96.47 -3.67 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.71 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.15 111.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.219 -179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.032 HD13 ' CH2' ' A' ' 26' ' ' TRP . 17.0 pt -109.34 -26.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.461 ' HA3' HG22 ' A' ' 8' ' ' VAL . . . -162.5 -154.53 7.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -153.86 165.86 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.926 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.12 126.88 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -74.92 -176.1 0.52 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.651 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -75.73 -25.02 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.83 ' CB ' HD12 ' A' ' 13' ' ' LEU . 10.9 m-20 -171.17 51.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 7.7 mtp180 -79.7 -73.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.547 ' HA ' HG22 ' A' ' 92' ' ' THR . 5.3 p -60.34 -13.63 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.343 1.027 . . . . 0.0 109.937 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -74.21 -12.1 60.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.061 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.6 pt -134.63 -44.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -34.23 -38.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ILE . 9.9 tttm -102.13 121.38 50.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.63 5.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.462 1.769 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 152.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.05 155.33 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.6 m -83.43 176.81 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.051 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 99' ' ' ILE . 1.9 pp -110.06 -32.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 98' ' ' ILE . 20.1 mt 60.7 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.356 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.6 t -131.96 162.98 29.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -122.52 139.55 53.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 pt -99.37 -178.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.79 176.45 8.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.973 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.826 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.07 125.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 176.01 179.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.68 169.67 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.601 1.188 . . . . 0.0 109.935 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -165.72 162.63 18.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -176.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.217 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 60.16 75.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.688 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -33.39 -52.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 3.7 tttt 78.36 -53.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.694 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.82 123.9 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.688 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -128.0 165.36 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -108.09 153.92 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.6 mt -44.4 -38.54 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -67.93 -50.86 53.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.158 . . . . 0.0 110.374 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 7.4 tp10 -49.31 -37.71 25.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CD1' ' A' ' 28' ' ' ILE . 2.1 mt -80.15 -36.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.0 tm0? -63.16 -40.12 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 4.9 mtpt -63.21 -28.11 69.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 24' ' ' SER . 9.1 m170 -97.44 89.18 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.616 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.7 t-20 -140.61 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.6 m-80 -105.96 154.55 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.7 t -55.03 -16.36 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -92.46 -34.76 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.55 ' HB2' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.61 71.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.997 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.889 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.4 m -93.01 96.12 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 35' ' ' ASP . 1.2 m-90 -115.72 143.61 45.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.058 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.21 170.86 15.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.821 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.85 125.97 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -120.68 121.81 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' H ' ' CB ' ' A' ' 59' ' ' THR . 50.1 t-80 69.33 -62.93 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -173.03 9.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -122.29 157.85 30.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.611 ' O ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -106.11 136.39 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 3.1 m-85 -124.02 157.04 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.614 ' OD1' ' CH2' ' A' ' 26' ' ' TRP . 10.9 t0 -88.9 92.74 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.241 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.146 HD13 ' HB3' ' A' ' 50' ' ' LEU . 7.4 mt -61.06 -34.05 74.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 22.3 m -37.48 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.461 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.731 ' CD ' ' CZ ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -84.71 -51.4 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.63 ' C ' HD13 ' A' ' 50' ' ' LEU . 2.0 m-30 -63.73 -15.53 58.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 HG21 ' A' ' 25' ' ' THR . 9.2 mt -46.19 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.227 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -38.15 -67.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.402 1.064 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 5.9 mm-40 -53.79 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER 89.45 126.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.559 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.1 Cg_endo -75.05 1.62 7.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.589 1.836 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.72 -48.53 1.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.09 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.006 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 134.83 151.03 6.21 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' HD22 ' A' ' 40' ' ' LEU . 1.8 mp0 -36.44 -47.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.251 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -49.55 -50.59 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.006 HG12 ' O ' ' A' ' 46' ' ' GLY . 5.2 p -37.63 -30.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.146 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -102.37 -35.66 8.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.382 1.051 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.56 -43.19 90.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -61.47 -19.34 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.9 pt20 -102.91 -23.96 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.584 1.177 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -62.54 122.59 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.368 1.043 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.606 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 127.64 16.15 2.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.04 -172.89 37.41 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.915 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -60.62 131.83 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.058 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -109.64 -15.19 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -49.29 -58.67 4.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.5 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -37.08 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.654 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.9 OUTLIER -91.25 -55.88 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.52 -20.53 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -75.52 -47.19 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -36.43 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -83.23 3.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.43 79.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.651 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 45.1 m80 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.5 p -105.78 153.92 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 m -54.76 -24.2 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.53 -52.99 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -51.44 -49.31 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.69 -41.92 91.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 8.3 mt-10 -61.89 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -50.46 -39.23 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.744 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -64.64 -42.52 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.104 179.9 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -61.73 -8.37 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.95 HG22 ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -90.45 -29.76 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.731 ' CZ ' ' CD ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -109.26 15.4 23.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.093 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.708 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 1.2 mt -62.46 138.08 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -105.19 -34.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.487 ' C ' ' CG2' ' A' ' 33' ' ' VAL . . . -172.57 -149.83 6.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.3 mt-10 -149.78 165.59 32.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -67.96 130.42 42.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.917 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.96 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -78.51 -176.36 0.67 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.668 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -75.08 8.74 2.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.401 1.063 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 7.3 m-20 -172.57 73.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' CD ' ' O ' ' A' ' 84' ' ' HIS . 29.6 mmm-85 -87.67 -73.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 22.8 t -64.05 -8.01 10.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -20.43 59.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 57' ' ' ASP . 1.1 pt -126.28 -39.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.557 1.161 . . . . 0.0 109.153 -179.934 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 0.7 OUTLIER -29.99 -45.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 92' ' ' THR . 0.3 OUTLIER -156.83 149.39 18.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.215 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.777 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -129.34 -54.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.069 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.78 166.53 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -146.6 166.73 25.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.6 tt -148.55 160.93 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.639 HD13 ' C ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.89 131.55 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.54 ' N ' HD13 ' A' ' 99' ' ' ILE . 96.1 m -126.58 150.48 48.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' ILE . 13.2 t -42.66 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 101' ' ' THR . 0.5 OUTLIER 46.14 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.14 170.79 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.707 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.27 -179.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -162.74 160.0 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -172.52 172.11 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.67 173.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 179.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.35 168.52 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -47.97 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 8' ' ' VAL . 1.1 tttt 79.27 -52.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.665 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.13 114.66 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.935 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 1.018 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -118.86 164.72 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 p -106.74 152.06 24.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HG ' HD21 ' A' ' 83' ' ' LEU . 5.5 mt -46.2 -38.44 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -66.14 -51.45 57.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.17 -37.78 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.235 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.627 HD13 HD11 ' A' ' 28' ' ' ILE . 1.8 mt -79.35 -40.79 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.7 tm0? -60.34 -36.36 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 3.6 mmmm -69.04 -29.14 67.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.547 1.154 . . . . 0.0 109.379 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 24' ' ' SER . 13.4 m-70 -100.87 87.29 3.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.118 . . . . 0.0 109.65 179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.625 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 2.1 t-20 -133.92 14.21 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -107.32 163.0 13.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 t -62.22 -6.81 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.05 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -70.66 -38.68 73.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.389 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.535 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 2.0 m -162.32 50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.984 HG22 ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.98 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.932 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 1.132 ' CH2' HD13 ' A' ' 80' ' ' ILE . 85.6 m95 -107.38 146.1 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -151.07 174.27 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.955 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -123.89 123.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' CD1' ' CAB' ' A' ' 105' ' ' HEM . 0.2 OUTLIER -120.03 131.13 55.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' H ' ' CB ' ' A' ' 59' ' ' THR . 39.4 t-80 68.91 -46.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.547 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.45 -14.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.406 1.066 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 3.8 mptt -95.4 169.7 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.9 HG12 ' C ' ' A' ' 81' ' ' GLY . 9.0 p -107.17 124.35 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.713 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.7 OUTLIER -117.97 152.25 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.817 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -93.21 99.64 12.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.017 HD13 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -63.44 -31.65 72.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -47.54 -22.53 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 17.0 mttt -82.51 -44.61 15.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 t80 -107.43 37.71 2.33 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.576 1.173 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 50' ' ' LEU . 28.8 tp -70.74 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -74.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.6 mt-10 -38.89 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.208 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.844 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 174.01 129.76 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.579 179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.2 Cg_endo -74.98 1.38 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.802 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.08 -53.65 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.909 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 144.15 155.97 6.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 7.9 mp0 -45.6 -44.13 12.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' GLU . 2.4 tt0 -48.68 -45.72 39.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.909 HG12 ' O ' ' A' ' 46' ' ' GLY . 3.1 p -42.67 -25.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.017 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.9 mp -106.3 -43.83 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -63.78 -47.22 81.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -57.94 -23.4 53.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.845 HE22 ' CHC' ' A' ' 105' ' ' HEM . 12.3 pt20 -96.46 -29.32 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.984 ' CB ' HG22 ' A' ' 25' ' ' THR . . . -56.35 130.27 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 122.04 16.18 4.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.62 -174.07 38.09 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.921 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -65.09 126.07 26.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -102.19 -11.92 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.51 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -49.84 -50.71 44.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -47.47 -23.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.224 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -97.75 -56.5 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -47.49 -21.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG2' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm-40 -73.2 -47.73 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -61.25 -44.94 96.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -73.45 -2.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 35.37 81.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CE1' ' NC ' ' A' ' 105' ' ' HEM . 50.0 m80 -69.91 178.87 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.478 0.752 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 p -103.98 147.51 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -49.55 -23.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -74.43 -48.69 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.926 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.57 -45.1 77.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mtm105 -65.65 -39.11 91.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.63 -42.9 95.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -61.08 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.612 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.59 -28.02 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -56.44 -16.45 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 74' ' ' LEU . 17.6 p -83.11 -27.13 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.679 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 5.6 m-85 -94.05 -11.88 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.713 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -57.09 110.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.132 HD13 ' CH2' ' A' ' 26' ' ' TRP . 10.5 pt -108.07 -21.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.392 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.9 ' C ' HG12 ' A' ' 33' ' ' VAL . . . -171.46 -154.1 9.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 2.4 mt-10 -152.7 158.28 42.12 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.065 HD23 ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -63.45 122.39 16.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 109.209 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.762 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -64.43 -176.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.01 11.25 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -75.38 -26.08 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 5.5 m-20 -171.58 70.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.602 ' CG ' ' HA ' ' A' ' 85' ' ' PRO . 3.7 mmm180 -83.69 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.521 ' HA ' ' CG2' ' A' ' 92' ' ' THR . 12.9 p -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.08 -11.38 59.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.065 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -134.74 -41.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 89' ' ' SER . 1.3 t -28.23 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 0.3 OUTLIER -38.06 106.23 0.36 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.4 p -147.96 161.88 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.22 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -146.96 170.4 17.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tt -154.9 141.85 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.31 158.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.8 t -141.11 145.92 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 t -153.43 131.09 11.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.521 1.138 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tp -171.92 140.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -127.53 141.37 51.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 -179.972 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.845 ' CHC' HE22 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.88 169.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 179.54 175.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p 174.46 166.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.932 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.82 163.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -175.17 115.26 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 6' ' ' LYS . . . 173.92 80.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.89 -62.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.625 1.203 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 78.8 -55.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.949 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.645 ' CB ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.64 114.81 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -121.85 165.78 15.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -107.48 147.93 29.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.482 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.997 ' HG ' HD21 ' A' ' 83' ' ' LEU . 8.8 mt -45.73 -36.98 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -48.22 77.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.32 -38.08 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.12 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -77.33 -30.45 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -67.34 -30.34 70.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 8.5 m170 -88.6 88.33 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.697 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -135.59 20.71 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -106.53 156.23 18.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.203 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 p -60.38 -13.95 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -103.3 -15.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -141.66 61.08 1.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.059 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.855 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -92.11 100.7 13.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.475 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.945 ' HB3' HG23 ' A' ' 16' ' ' ILE . 1.2 m-90 -116.74 145.72 43.3 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.57 1.169 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.962 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -155.88 176.14 13.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.12 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.37 135.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.887 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' CBB' ' A' ' 105' ' ' HEM . 0.1 OUTLIER -134.51 119.98 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 62.5 t-80 74.72 -37.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER 156.84 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -96.34 168.75 10.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.386 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 82' ' ' GLU . 47.9 t -105.48 123.15 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.674 ' CE2' HG13 ' A' ' 79' ' ' ILE . 1.4 m-85 -115.09 150.54 35.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -90.89 95.85 10.33 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.09 HD13 ' HB3' ' A' ' 50' ' ' LEU . 4.5 mt -60.51 -35.07 75.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -44.77 -26.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.919 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -86.52 -43.36 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 89.9 m-85 -60.7 -22.01 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -50.48 -21.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt-10 -93.28 -24.8 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -85.65 -144.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER 60.51 164.03 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' ND1' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.89 53.72 3.37 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.074 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.46 60.75 3.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.42 133.88 3.42 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 40' ' ' LEU . 34.9 mt-10 -110.26 -51.48 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.5 tt0 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -42.59 -25.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.09 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.7 mp -101.96 -34.67 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -68.53 -37.36 79.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.053 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 8.7 pt-20 -65.98 -12.69 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 11.5 pt20 -108.42 -20.74 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -60.27 139.89 57.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA3' ' ND2' ' A' ' 20' ' ' ASN . . . 121.69 -9.09 9.95 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.552 1.158 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 179.79 -169.62 40.57 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -62.74 128.65 36.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -107.32 -20.26 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.492 ' CB ' ' H ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -43.42 -51.06 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -41.92 -41.19 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.217 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.8 OUTLIER -88.74 -48.84 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.238 -179.887 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.15 -15.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -85.48 -30.87 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.242 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.09 -30.29 63.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.569 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -82.68 3.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 36.16 79.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.6 1.187 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 50.7 m80 -72.11 179.46 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.56 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -103.29 146.0 29.11 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.551 1.157 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -47.14 -32.05 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' LEU . 44.5 t0 -67.03 -48.44 68.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.925 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -55.49 -46.68 76.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -62.09 -48.69 79.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -62.32 -38.41 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.925 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.86 -36.85 80.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.608 1.193 . . . . 0.0 109.976 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -62.05 -11.46 13.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.62 ' OG1' ' CD1' ' A' ' 78' ' ' PHE . 14.7 p -90.86 -14.58 31.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.741 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 m-85 -106.58 -8.79 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.674 HG13 ' CE2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -57.74 117.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.553 HD12 ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -107.77 -26.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -165.38 -154.15 7.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt-10 -152.25 159.05 43.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -66.06 119.08 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.645 ' CD2' ' CB ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -64.96 -175.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.636 ' HD3' ' CD2' ' A' ' 84' ' ' HIS . 18.1 Cg_endo -74.98 12.86 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -78.93 -26.7 43.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 2.3 m-20 -166.43 62.64 0.1 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.461 1.1 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.7 ' CZ ' ' CE1' ' A' ' 31' ' ' TYR . 5.6 mmm180 -76.43 -80.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.678 ' HA ' HG22 ' A' ' 92' ' ' THR . 22.9 t -60.25 -10.73 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -16.23 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.004 HD13 HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -134.94 -45.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -37.82 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 91' ' ' ILE . 38.6 tttt -106.46 115.57 60.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.93 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -125.68 155.24 41.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 170.92 7.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.79 164.06 39.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.24 166.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 100' ' ' THR . 1.2 tt -122.63 -52.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 99' ' ' ILE . 7.7 m 59.42 151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -161.93 143.35 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 tt -169.18 134.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t0 174.18 162.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -180.0 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.731 ' CBB' HD12 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -118.21 -60.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -173.19 172.6 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.28 171.33 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.092 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.8 176.37 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -173.51 100.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.11 90.16 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -44.99 -64.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.536 1.148 . . . . 0.0 109.386 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 15.9 mmtt 74.61 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -134.0 123.16 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.851 ' CD1' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -129.77 171.14 12.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 p -108.36 149.75 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG21 ' A' ' 91' ' ' ILE . 6.4 mt -50.31 -37.98 39.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -43.67 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 7.6 tp10 -61.51 -42.81 99.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.198 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.7 mt -71.87 -32.45 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -55.88 -40.76 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -68.87 -28.47 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 26' ' ' TRP . 97.1 m-70 -80.59 77.2 7.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.664 179.929 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 11.5 t-20 -134.11 12.29 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 23' ' ' LYS . 33.4 m-20 -102.78 144.69 30.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.5 p -57.79 -9.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 21' ' ' ASN . 10.3 mttt -82.23 -36.44 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 23.3 m -147.44 58.94 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.5 m -70.04 113.91 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.453 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.976 ' CH2' HD13 ' A' ' 80' ' ' ILE . 98.7 m95 -129.63 153.31 48.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 108.104 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -157.01 177.1 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.198 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.46 132.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.722 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -133.56 115.2 14.43 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 31' ' ' TYR . 59.6 t-80 73.93 -34.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.678 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.6 t80 154.55 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -100.63 169.56 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 44.4 t -107.37 124.52 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.695 ' CE2' ' CG1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -118.38 149.63 40.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.93 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.969 ' HB3' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -86.5 95.98 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.1 HD13 ' HB3' ' A' ' 50' ' ' LEU . 5.3 mt -62.35 -31.63 72.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.498 ' N ' ' HB ' ' A' ' 25' ' ' THR . 0.8 OUTLIER -60.75 -32.36 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -82.04 -1.49 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.909 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 6.2 t80 -132.32 6.82 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD22 ' HB3' ' A' ' 47' ' ' GLU . 12.5 mt -57.67 -68.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LEU . 4.8 mt-10 -36.35 -58.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 2.7 tt0 -55.3 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.922 ' ND1' HG11 ' A' ' 49' ' ' VAL . 5.4 t-80 77.22 139.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.515 179.907 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HG3' HAA2 ' A' ' 105' ' ' HEM . 18.4 Cg_endo -74.97 -42.29 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.62 99.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.421 1.076 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.769 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 137.18 -153.36 21.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.931 ' HB3' HD22 ' A' ' 40' ' ' LEU . 4.4 mp0 -89.13 -46.02 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.0 tt0 -52.55 -36.13 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.922 HG11 ' ND1' ' A' ' 43' ' ' HIS . 11.3 p -51.77 -26.29 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.1 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.1 mt -106.35 -37.13 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.93 -11.76 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' NE2' ' O ' ' A' ' 49' ' ' VAL . 11.4 pt20 -111.0 -22.84 11.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -58.13 126.86 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 118.04 20.6 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.98 -176.43 43.13 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.835 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -78.12 119.81 22.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 0.751 . . . . 0.0 109.251 -179.921 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB1' ' CMC' ' A' ' 105' ' ' HEM . . . -96.08 -18.7 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' OD2' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -41.28 -42.52 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.434 179.925 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -43.67 62.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.62 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -83.06 -49.09 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.722 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.83 -14.05 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.349 1.03 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -82.73 -32.39 27.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -77.18 -54.01 7.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.379 179.86 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -51.49 -19.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASP . . . 56.7 84.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.185 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 58.7 m80 -78.89 179.21 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -105.67 153.36 21.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 p -50.46 -31.65 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -67.61 -47.84 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.73 ' HB2' ' O2A' ' A' ' 105' ' ' HEM . . . -52.88 -45.66 67.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 72' ' ' ARG . 12.2 mtp-105 -66.22 -36.76 83.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -41.88 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.909 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -61.8 -40.29 94.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -61.23 -26.24 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -58.64 -13.9 6.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.231 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 74' ' ' LEU . 13.2 p -87.2 -26.06 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' PHE . 8.5 m-85 -95.92 -7.04 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.695 ' CG1' ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -63.3 116.21 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.976 HD13 ' CH2' ' A' ' 26' ' ' TRP . 23.7 pt -110.03 -28.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 82' ' ' GLU . . . -167.7 -150.31 6.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -153.12 171.61 18.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 0.75 . . . . 0.0 110.416 179.9 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD21 ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -78.9 125.19 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.37 -173.52 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.648 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.64 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.2 Cg_endo -75.05 10.98 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.586 1.835 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.11 -26.52 53.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 4.3 m-20 175.94 54.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 18.8 ptt180 -93.28 -52.25 4.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -72.43 -2.13 18.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.37 -1.68 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 13' ' ' LEU . 1.1 pt -139.33 -42.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 88' ' ' ARG . 6.7 t -31.91 147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -45.89 105.38 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.892 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 173.55 14.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 p -94.25 117.35 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.92 149.74 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.2 121.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -171.76 143.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.86 160.16 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 t -152.17 154.08 35.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 t -138.57 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.4 tp -113.78 -41.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.28 -69.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.855 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.46 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 171.81 19.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.51 173.68 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -163.72 175.11 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 109.943 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -166.2 175.69 8.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -87.64 134.98 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -25.19 -58.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.597 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 79.46 -50.14 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -136.44 129.68 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.712 ' CE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -136.25 167.08 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 86' ' ' ASP . 37.4 p -107.51 149.6 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.745 HD11 HG21 ' A' ' 91' ' ' ILE . 4.4 mt -46.99 -37.19 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.211 -179.905 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -49.46 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -54.35 -34.76 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.188 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt -81.46 -39.2 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.1 tm0? -54.7 -31.9 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.82 -46.18 31.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.673 ' CE1' ' CZ2' ' A' ' 26' ' ' TRP . 3.9 m-70 -70.84 82.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' CG ' ' O ' ' A' ' 20' ' ' ASN . 11.5 t-20 -127.15 21.07 6.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' LYS . 12.7 m-20 -97.08 149.95 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 40' ' ' LEU . 62.2 p -68.92 11.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.923 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ASN . 18.1 mttt -115.05 -29.12 6.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.215 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -130.66 23.52 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.795 HG22 ' HB2' ' A' ' 54' ' ' ALA . 1.7 m -39.51 103.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.712 ' CZ3' ' CE2' ' A' ' 11' ' ' TYR . 45.1 m0 -116.11 136.39 53.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -149.23 172.85 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.188 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -111.5 138.21 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -138.91 114.44 9.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' H ' ' CB ' ' A' ' 59' ' ' THR . 33.3 t-80 75.07 -52.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 174.12 2.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 110.967 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -115.56 168.62 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 28' ' ' ILE . 5.8 m -110.58 133.2 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD2' HG13 ' A' ' 79' ' ' ILE . 1.6 m-85 -124.25 157.74 34.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.49 92.56 6.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.12 HD13 ' HB3' ' A' ' 50' ' ' LEU . 49.6 mt -56.29 -28.22 58.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 m -39.49 -26.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 1.9 tptt -89.19 -48.44 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m-30 -73.18 -8.39 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 22' ' ' SER . 6.9 mt -47.55 -66.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.45 -68.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.609 1.193 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.896 ' HD1' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER 178.5 131.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.621 -179.931 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.4 Cg_endo -74.97 4.72 4.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.18 -56.23 0.43 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.995 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 142.84 155.7 6.52 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 40' ' ' LEU . 3.7 mp0 -40.78 -47.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 -179.915 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -48.03 -48.47 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 46' ' ' GLY . 4.0 p -38.43 -29.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.12 ' HB3' HD13 ' A' ' 36' ' ' LEU . 1.4 mt -108.17 -32.54 7.46 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.687 1.242 . . . . 0.0 109.337 179.885 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -68.28 -40.99 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.6 pt-20 -62.67 -12.07 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 11.3 pt20 -109.88 -22.93 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' A' ' 25' ' ' THR . . . -56.39 126.16 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 16' ' ' ILE . . . 113.97 21.36 5.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 28' ' ' ILE . . . 167.3 -176.53 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.877 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -73.03 123.44 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -98.71 -20.95 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -46.56 -49.34 18.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -43.19 -33.91 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB3' HMC2 ' A' ' 105' ' ' HEM . 0.2 OUTLIER -96.14 -51.81 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 179.968 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.712 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -47.83 -22.57 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -42.01 57.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -36.67 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.217 -179.897 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -81.14 2.18 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 65' ' ' VAL . . . 32.51 83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' ' C1C' ' A' ' 105' ' ' HEM . 57.2 m80 -71.46 -178.94 2.31 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.42 0.718 . . . . 0.0 109.643 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.7 p -104.52 156.21 18.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -57.12 -24.76 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.08 -46.51 51.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' A' ' 74' ' ' LEU . . . -57.0 -49.0 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.36 -42.18 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.82 -46.84 86.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -54.8 -36.86 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.68 -41.1 94.41 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -64.3 -5.4 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 74' ' ' LEU . 1.1 t -79.54 -40.28 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -111.53 16.55 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.58 1.175 . . . . 0.0 110.975 -179.974 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -54.07 126.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.908 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -90.14 -37.8 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . 179.15 -140.42 4.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.2 mt-10 -149.47 163.25 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -74.81 118.07 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.6 ' CG ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -65.39 -175.28 0.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.6 ' CD ' ' CG ' ' A' ' 84' ' ' HIS . 18.3 Cg_endo -74.97 12.55 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -77.96 -27.24 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 4.0 m-20 -179.86 52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 84' ' ' HIS . 30.4 ptt180 -94.91 -53.14 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.497 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 45.5 t -74.92 4.43 6.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -103.36 -0.72 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.225 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -143.08 -44.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 91' ' ' ILE . 15.0 t -25.52 -53.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.386 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 49.1 tttt -119.01 110.56 38.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -162.84 117.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 152.84 10.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 p -126.11 157.92 36.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.082 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 tt -141.94 151.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 tt -132.97 165.88 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 t -125.68 161.69 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.472 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 m -137.71 -66.89 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 tt -171.57 168.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -176.88 148.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.902 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.69 ' CMC' ' HB1' ' A' ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_